Karl Freed
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Chemistry
Karl Freed's Degrees
- PhD Chemistry University of California, Berkeley
- Bachelors Chemistry University of California, Berkeley
Why Is Karl Freed Influential?
(Suggest an Edit or Addition)According to Wikipedia, Karl Frederick Freed is an American theoretical chemist recognized for his research in polymer physics. Freed has spent his academic career in the department of chemistry and the James Frank Institute at the University of Chicago, where he is the Henry G. Gale Distinguished Service Professor emeritus. He is a member of the American Academy of Arts and Sciences, a Fellow of the American Physical Society, and was awarded the Polymer Physics Prize of the American Physical Society in 2014 and the Award in Pure Chemistry by the American Chemical Society in 1976.
Karl Freed's Published Works
Number of citations in a given year to any of this author's works
Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- Multiphonon Processes in the Nonradiative Decay of Large Molecules (1970) (417)
- Renormalization Group Theory of Macromolecules (1987) (377)
- Statistical coil model of the unfolded state: resolving the reconciliation problem. (2005) (289)
- Effect of monomer structure and compressibility on the properties of multicomponent polymer blends and solutions: 1. Lattice cluster theory of compressible systems (1991) (203)
- Characterization of branching architecture through "universal" ratios of polymer solution properties (1990) (202)
- Dependence of Radiationless Decay Rates in Polyatomic Molecules upon the Initially Selected Vibronic State: General Theory and Application (1972) (161)
- Theory of the Hyperfine Structure of Molecules: Application to 3Π States of Diatomic Molecules Intermediate between Hund's Cases (a) and (b) (1966) (155)
- Helix, sheet, and polyproline II frequencies and strong nearest neighbor effects in a restricted coil library. (2005) (155)
- Polymer viscosity in concentrated solutions (1974) (149)
- Innovative scattering analysis shows that hydrophobic disordered proteins are expanded in water (2017) (142)
- The glass transition temperature of polymer melts. (2005) (135)
- Intramolecular vibrational energy redistribution and the time evolution of molecular fluorescence (1980) (135)
- Generalized Entropy Theory of Polymer Glass Formation (2008) (133)
- New lattice model for interacting, avoiding polymers with controlled length distribution (1985) (131)
- Systematic corrections to Flory–Huggins theory: Polymer–solvent–void systems and binary blend–void systems (1988) (129)
- Role of molecular structure on the thermodynamic properties of melts, blends, and concentrated polymer solutions: comparison of Monte Carlo simulations with the cluster theory for the lattice model (1990) (124)
- Energy dependence of electronic relaxation processes in polyatomic molecules (1976) (124)
- Intramolecular perturbations and the quenching of luminescence in small molecules (1973) (124)
- Internal Rotation and the Breakdown of the Adiabatic Approximation: Many‐Phonon Radiationless Transitions (1970) (116)
- Hydrodynamic theory for vibrational relaxation in liquids (1977) (114)
- Dissociation processes of polyatomic molecules (1975) (112)
- Investigations into sequence and conformational dependence of backbone entropy, inter-basin dynamics and the Flory isolated-pair hypothesis for peptides. (2003) (109)
- Theory of diatomic molecule photodissociation: Electronic angular momentum influence on fragment and fluorescence cross sections (1983) (108)
- Theory of the dynamical viscosity of polymer solutions (1974) (108)
- Effect of monomer structure and compressibility on the properties of multicomponent polymer blends and solutions. 2. Application to binary blends (1991) (105)
- Fragility of glass-forming polymer liquids. (2005) (103)
- Long time dynamics of Met-enkephalin: comparison of explicit and implicit solvent models. (2002) (100)
- Radiationless transitions in molecules (1978) (99)
- All‐atom fast protein folding simulations: The villin headpiece (2002) (98)
- Loss of conformational entropy in protein folding calculated using realistic ensembles and its implications for NMR-based calculations (2014) (97)
- Effect of monomer structure and compressibility on the properties of multicomponent polymer blends and solutions. 3. Application to deuterated polystyrene [PS(D)]poly(vinyl methyl ether) (PVME) blends (1991) (97)
- Lattice model of living polymerization. I. Basic thermodynamic properties (1999) (96)
- Renormalization and the two-parameter theory (1984) (94)
- Phase equilibria of lattice polymer and solvent: tests of theories against simulations (1990) (94)
- Half‐collision description of final state distributions of the photodissociation of polyatomic molecules (1981) (90)
- Positional time correlation function for one‐dimensional systems with barrier crossing: Memory function corrections to the optimized Rouse–Zimm approximation (1993) (90)
- Analysis of abinitio effective valence shell Hamiltonian calculations using third order quasidegenerate many‐body perturbation theory (1981) (88)
- Radiative Decay of Polyatomic Molecules (1969) (87)
- The improved virtual orbital-complete active space configuration interaction method, a “packageable” efficient ab initio many-body method for describing electronically excited states (2001) (87)
- Applications of multireference perturbation theory to potential energy surfaces by optimal partitioning of H: Intruder states avoidance and convergence enhancement (1995) (87)
- Theoretical foundations of purely semiempirical quantum chemistry (1974) (86)
- Is there a bridge between ab initio and semiempirical theories of valence (1983) (85)
- Theory of collision induced intersystem crossing (1976) (85)
- A lattice field theory for polymer systems with nearest‐neighbor interaction energies (1987) (85)
- Ab initio evaluation of correlation contributions to the true π‐electron Hamiltonian: Ethylene (1974) (83)
- Ab initio study of the trans‐butadiene π‐valence states using the effective valence shell Hamiltonian method (1992) (83)
- Application of the entropy theory of glass formation to poly(alpha-olefins). (2009) (82)
- Lattice theories of polymeric fluids (1989) (81)
- Entropy theory of polymer glass formation revisited. I. General formulation. (2006) (81)
- The entropy of a confined polymer. I (1969) (81)
- Lattice models of polymer solutions: Monomers occupying several lattice sites (1987) (80)
- Excluded volume in star polymers: chain conformation space renormalization group (1983) (78)
- Irreversible Electronic Relaxation in Polyatomic Molecules (1970) (76)
- Lattice model of equilibrium polymerization. IV. Influence of activation, chemical initiation, chain scission and fusion, and chain stiffness on polymerization and phase separation (2003) (75)
- Plasticization and antiplasticization of polymer melts diluted by low molar mass species. (2010) (75)
- Rotational distributions from photodissociations. I. Linear triatomic molecules (1979) (74)
- Mimicking the folding pathway to improve homology-free protein structure prediction (2009) (74)
- On the Stokes problem for a suspension of spheres at finite concentrations (1978) (73)
- Does equilibrium polymerization describe the dynamic heterogeneity of glass-forming liquids? (2006) (72)
- Statistical mechanics; new concepts, new problems, new applications (1972) (71)
- Communication: Cosolvency and cononsolvency explained in terms of a Flory-Huggins type theory. (2015) (69)
- Lattice model of living polymerization. III. Evidence for particle clustering from phase separation properties and “rounding” of the dynamical clustering transition (2000) (68)
- Abinitio effective valence shell Hamiltonian for the neutral and ionic valence states of N, O, F, Si, P, and S (1980) (68)
- Theta point (‘‘tricritical’’) region behavior for a polymer chain: Transition to collapse (1984) (67)
- Wiener Integrals and Models of Stiff Polymer Chains (1971) (66)
- Benchmarking all-atom simulations using hydrogen exchange (2014) (65)
- A one-dimensional microscopic quantum mechanical theory of light enhanced desorption (1981) (64)
- Modeling the hydration layer around proteins: applications to small- and wide-angle x-ray scattering. (2011) (63)
- A density functional theory of polymer phase transitions and interfaces (1990) (62)
- Boltzmann statistics and radiationless decay in large molecules: Optical selection studies (1970) (62)
- Rotational distributions from photodissociation. II. Results for ICN+hν→l+CN(X 2Σ+) (1979) (61)
- Rotational distributions from photodissociations. IV. The bent triatomic molecule (1983) (60)
- Penetration function and second virial coefficient for linear and regular star polymers (1984) (59)
- Functional Integrals and Polymer Statistics (2007) (59)
- A lattice model for self‐avoiding polymers with controlled length distributions. II. Corrections to Flory–Huggins mean field (1986) (59)
- Application of complete space multireference many‐body perturbation theory to N2: Dependence on reference space and H0 (1995) (58)
- Rotational and angular distributions from photodissociations. III. Effects of dynamic axis switching in linear triatomic molecules (1981) (58)
- Application of dimensional regularization to single chain polymer static properties: Conformational space renormalization of polymers. III (1981) (57)
- Influence of Short Chain Branching on the Miscibility of Binary Polymer Blends: Application to Polyolefin Mixtures (1996) (57)
- Free energy functional expansion for inhomogeneous polymer blends (1991) (57)
- LATTICE CLUSTER THEORY OF MULTICOMPONENT POLYMER SYSTEMS : CHAIN SEMIFLEXIBILITY AND SPECIFIC INTERACTIONS (2007) (57)
- Many-Body Theories of the Electronic Structure of Atoms and Molecules (1971) (57)
- Relation of effective interaction parameters for binary blends and diblock copolymers : lattice cluster theory predictions and comparisons with experiment (1993) (57)
- Nonradiative decay processes in benzene (1974) (57)
- Role of monomer structure and compressibility on the properties of multicomponent polymer blends and solutions (1992) (56)
- Influence of Cohesive Energy and Chain Stiffness on Polymer Glass Formation (2014) (56)
- Anomalous isotope dependence of hydrogen diffusion rates on tungsten (110) surfaces: Implications for lattice–hydrogen interactions (1987) (56)
- Rotational mechanism for vibrational relaxation in rigid media (1977) (56)
- Comparison of low-order multireference many-body perturbation theories. (2005) (56)
- Lattice model of equilibrium polymerization. VII. Understanding the role of "cooperativity" in self-assembly. (2008) (55)
- Path Integrals and Semiclassical Tunneling, Wavefunctions, and Energies (1972) (55)
- Dynamics of electronic dephasing in the Fenna–Matthews–Olson complex (2010) (55)
- Theory of Concentration Dependence of Polymer Relaxation Times in Dilute Solutions (1978) (54)
- A one‐dimensional model for phonon‐induced desorption (1983) (54)
- Collision dyanamics of collision induced intersystem crossing processes (1978) (54)
- Lattice model of living polymerization. II. Interplay between polymerization and phase stability (2000) (53)
- Pressure dependence of polymer fluids : application of the lattice cluster theory (1995) (52)
- Influence of Cohesive Energy on the Thermodynamic Properties of a Model Glass-Forming Polymer Melt (2016) (52)
- Effect of residual interactions on polymer properties near the theta point (1985) (52)
- Convergence studies of the effective valence shell Hamiltonian for correlation energies of the fluorine atom and its ions using third order quasidegenerate many‐body perturbation theory (1981) (52)
- A Wiener integral model for stiff polymer chains (1985) (52)
- Random Matrix Theory and the Master Equation for Finite Systems (1972) (51)
- Modeling the hydration layer around proteins: HyPred. (2010) (51)
- Conformation space renormalization of polymers. II. Single chain dynamics based on chain diffusion equation model (1981) (51)
- Modification of the Phase Stability of Polymer Blends by Diblock Copolymer Additives (1995) (50)
- Analysis and Evaluation of Ionization Potentials, Electron Affinities, and Excitation Energies by the Equations of Motion—Green's Function Method (2007) (50)
- On scaling theories of polymer solutions (1978) (50)
- Interfacial studies of incompressible binary blends (1991) (50)
- Minimalist representations and the importance of nearest neighbor effects in protein folding simulations. (2006) (50)
- Crowding induced self-assembly and enthalpy-entropy compensation. (2009) (50)
- Quantum theory of photodissociation of polyatomic molecules: Application to HCN (1974) (49)
- Influence of Cohesive Energy on Relaxation in a Model Glass-Forming Polymer Melt (2016) (49)
- Entropy-enthalpy compensation in chemical reactions and adsorption: an exactly solvable model. (2011) (48)
- Solvation effect on conformations of 1,2:dimethoxyethane: charge-dependent nonlinear response in implicit solvent models. (2008) (48)
- Flory-Huggins model of equilibrium polymerization and phase separation in the Stockmayer fluid. (2004) (48)
- Cluster theory of the electronic structure of disordered systems (1971) (47)
- Considerations on the Rotation—Vibration of Triatomic Molecules (1966) (47)
- Large-scale context in protein folding: villin headpiece. (2003) (46)
- Lattice theory of polymer blends and liquid mixtures: Beyond the Flory–Huggins approximation (1989) (46)
- De novo prediction of protein folding pathways and structure using the principle of sequential stabilization (2012) (46)
- Nuclear coordinate dependence of electronic matrix elements for radiationless transitions (1975) (46)
- Influence of nonlinear electrostatics on transfer energies between liquid phases: Charge burial is far less expensive than Born model (2008) (46)
- Renormalization group and critical localization (1977) (46)
- Theory of collision induced intersystem crossing. Application to glyoxal (1976) (46)
- Huggins coefficient for the viscosity of polymer solutions (1975) (45)
- Electron Localization in Disordered Systems (1972) (43)
- Huggins Coefficient for Polymer Solutions with Excluded Volume (1977) (43)
- Direct computation of characteristic temperatures and relaxation times for glass-forming polymer liquids. (2005) (42)
- Molecular origins of cofilin-linked changes in actin filament mechanics. (2013) (42)
- The polymerization of actin: Thermodynamics near the polymerization line (2003) (42)
- Diffusion controlled processes among stationary reactive sinks: Effective medium approach (1983) (42)
- Influence of blend compressibility on extrapolated zero-angle coherent scattering and spinodal: limitations of RPA [random-phase approximation] analysis (1990) (41)
- GLOBAL THREE-DIMENSIONAL POTENTIAL ENERGY SURFACES OF H2S FROM THE AB INITIO EFFECTIVE VALENCE SHELL HAMILTONIAN METHOD (1996) (41)
- Erratum: Nonclassical terms in the true effective valence shell Hamiltonian: A second quantized formalism (1976) (41)
- The meaning of the "universal" WLF parameters of glass-forming polymer liquids. (2015) (41)
- Excited potential energy surfaces of CH3SH from the ab initio effective valence shell Hamiltonian method (1994) (40)
- Polymer melt near a solid wall (1994) (40)
- Lattice models of polymer fluids: Monomers occupying several lattice sites. II. Interaction energies (1989) (40)
- Potential energy curve for isomerization of N2H2 and C2H4 using the improved virtual orbital multireference Møller-Plesset perturbation theory. (2008) (40)
- Reduced Cβ statistical potentials can outperform all‐atom potentials in decoy identification (2007) (40)
- Langevin-Debye model for nonlinear electrostatic screening of solvated ions. (2009) (40)
- Comparison of the perturbative convergence with multireference Möller–Plesset, Epstein–Nesbet, forced degenerate and optimized zeroth order partitionings: The excited BeH2 surface (1997) (39)
- Lattice Cluster Theory for Pedestrians: The Incompressible Limit and the Miscibility of Polyolefin Blends (1998) (39)
- Renormalization group treatment of polymer excluded volume by t’Hooft–Veltman‐type dimensional regularization (1983) (39)
- Valence Excited States of BeO (1967) (39)
- Influence of monomer molecular structure on the miscibility of polymer blends (2005) (39)
- Competition between hydrodynamic screening (draining) and excluded volume interactions in an isolated polymer chain (1994) (38)
- Dissociation dynamics of CH3SH at 222, 248, and 193 nm: An analog for probing nonadiabaticity in the transition state region of bimolecular reactions (1993) (38)
- Influence of monomer molecular structure on the glass transition in polymers I. Lattice cluster theory for the configurational entropy (2003) (38)
- Rotational distributions in photodissociation: application to ICN (1976) (38)
- Conformation space renormalization of polymers. I. Single chain equilibrium properties using Wilson‐type renormalization (1981) (38)
- Coil-globule transition: comparison of field theoretic and conformational space formulations (1984) (38)
- On the Born—Oppenheimer separation and the calculation of nonradiative transition rates (1971) (37)
- Dynamics and spectroscopy of near threshold nonadiabatic resonances in photodissociation to open shell atoms: CH+ a model system (1986) (37)
- Thermodynamic regulation of actin polymerization (2001) (37)
- Cross linkage problems of polymers I. The method of second quantization applied to the cross linkage problem of polymers (1970) (37)
- Intramolecular vibrational relaxation: electronic relaxation as a probe (1976) (37)
- Renormalization and the two-parameter theory. 2. Comparison with experiment and other two-parameter theories (1985) (36)
- A study of the rotational state dependence of predissociation of a polyatomic molecule: The case of ClO2 (1981) (36)
- Abinitio third order effective valence shell Hamiltonian calculations for first row diatomic hydrides (1981) (36)
- Shake-up peak positions and intensities by many-body theory methods (1978) (36)
- Pressure dependence of electronic relaxation: A stochastic model (1974) (36)
- Advances in the generalized entropy theory of glass-formation in polymer melts. (2014) (35)
- Generalized perturbation theory of effective valence shell hamiltonians (1979) (35)
- Static-coherent-scattering function for a single polymer chain: Conformational space renormalization of polymers. V (1982) (35)
- Direct first principles algorithm for the universal electron density functional (1982) (35)
- Microscopic theory of polymer internal viscosity: Mode coupling approximation for the Rouse model (1977) (35)
- How far is far from critical point in polymer blends? Lattice cluster theory computations for structured monomer, compressible systems (1993) (35)
- Many-Body Approach to Electron Correlation in Atoms and Molecules (1968) (35)
- Communication: Towards first principles theory of relaxation in supercooled liquids formulated in terms of cooperative motion. (2014) (35)
- Rotational mechanism for vibrational relaxation in rigid media. Interaction potentials (1977) (34)
- Marriage of exact enumeration and 1/d expansion methods: Lattice model of dilute polymers (1992) (34)
- Large isotope effects in photodissociation of polyatomic molecules (1975) (34)
- Analysis of third order contributions to equations of motion—green's function ionization potentials: Application to N2 (1977) (34)
- Internal chain conformations of star polymers (1984) (33)
- Multistep relaxation in equilibrium polymer solutions: a minimal model of relaxation in "complex" fluids. (2008) (33)
- Self-assembly by mutual association: basic thermodynamic properties. (2008) (33)
- A one‐dimensional model for phonon‐induced desorption. II. Numerical analysis of the desorption of noble gas atoms (argon, krypton, and xenon) from tungsten and carbon monoxide from copper (1984) (33)
- Beyond Flory-Huggins theory: new classes of blend miscibility associated with monomer structural asymmetry. (2002) (33)
- Polypeptide motions are dominated by peptide group oscillations resulting from dihedral angle correlations between nearest neighbors. (2007) (33)
- Polypeptide dynamics: Experimental tests of an optimized RouseZimm type model (1990) (33)
- A lattice model for self‐ and mutually avoiding semiflexible polymer chains (1987) (33)
- Energy distribution in selected fragment vibrations in dissociation processes in polyatomic molecules (1977) (33)
- Critical analysis of equations-of-motion—Green's function method: Ionization potentials of N2 (1977) (33)
- Small proteins fold through transition states with native-like topologies. (2006) (33)
- Lattice cluster theory for polymer melts with specific interactions. (2014) (32)
- Cross sections and angular distributions for individual fragment fine structure levels produced in one‐ and two‐photon photodissociation of NaH (1984) (32)
- Simplified protein models: predicting folding pathways and structure using amino acid sequences. (2013) (32)
- Application of quasidegenerate many‐body perturbation theory to the calculation of molecular excited valence state negative ion Feshbach resonances (1982) (32)
- Molecular properties by ab initio quasidegenerate many‐body perturbation theory effective Hamiltonian method: Dipole and transition moments of CH and CH+ (1988) (32)
- Excluded volume effects for polymers in presence of interacting surfaces: Chain conformation renormalization group (1985) (32)
- A one-dimensional microscopic model for thermal desorption of an atom. Applications to the case of weak binding (1980) (32)
- Geometry and barriers to internal rotation in Hartree-Fock theory (1968) (32)
- Quantifying the structural requirements of the folding transition state of protein A and other systems. (2008) (31)
- Tests and Applications of Complete Model Space Quasidegenerate Many-Body Perturbation Theory for Molecules (1989) (31)
- Ab initio study of cyclobutadiene using the effective valence shell Hamiltonian method (1993) (31)
- Self‐Consistent Field Theories of the Polymer Excluded Volume Problem. I Edwards' Functional Integral Approach (1971) (31)
- The descent into glass formation in polymer fluids. (2011) (31)
- A derivation of the exact pi-electron hamiltonian (1972) (31)
- A theory of interactions between polarizable dielectric spheres. (2016) (31)
- Dipole moments, transition moments, oscillator strengths, radiative lifetimes, and overtone intensities for CH and CH+ as computed by quasi-degenerate many-body perturbation theory (1991) (31)
- Quasidegenerate many‐body perturbation theory of CH2 (1989) (30)
- Geometry optimization of radicaloid systems using improved virtual orbital-complete active space configuration interaction (IVO-CASCI) analytical gradient method. (2011) (30)
- Invariant imbedding solution of driven (inhomogeneous) and homogeneous Schrödinger equations (1982) (30)
- Ab initio effective valence shell hamiltonian calculation of the valence state potential curves of CH and CH (1981) (30)
- Multichannel quantum theory for propagation of second order transition amplitudes (1987) (29)
- New patterns of polymer blend miscibility associated with monomer shape and size asymmetry (2002) (29)
- Polymers with excluded volume in various geometries: Renormalization group methods (1987) (29)
- Concentration and excluded volume dependence of coherent scattering functions for polymers: Chain conformational space renormalization group (1983) (29)
- Electronic structure and bond length dependence of the effective valence shell Hamiltonian of S2 as studied by quasidegenerate many‐body perturbation theory (1987) (29)
- Protein structure prediction enhanced with evolutionary diversity: SPEED (2010) (29)
- Application of the effective valence shell Hamiltonian method to accurate estimation of valence and Rydberg states oscillator strengths and excitation energies for π electron systems (1997) (29)
- Rotational distributions in photodissociation: the bent triatomic molecule (1980) (29)
- Response to Comment on “Innovative scattering analysis shows that hydrophobic disordered proteins are expanded in water” (2018) (29)
- Polymer-polymer and polymer-surface excluded volume effects in flexible polymers attached to an interface: comparison of renormalization group calculations with Monte Carlo and direct enumeration data (1986) (29)
- ABINITIO EFFECTIVE VALENCE HAMILTONIAN DESCRIPTION OF ELECTRON CORRELATION FOR THE NEUTRAL AND ION VALENCE STATES OF TRANSITION-METAL ATOMS (1980) (29)
- Critical test of equation‐of‐motion–Green’s function methods. II. Comparison with configuration interaction results (1980) (28)
- INTERRELATION BETWEEN DENSITY FUNCTIONAL AND SELF-CONSISTENT-FIELD FORMULATIONS FOR INHOMOGENEOUS POLYMER SYSTEMS (1995) (28)
- Considerations on the multiple scattering representation of the concentration dependence of the viscoelastic properties of polymer systems (1981) (28)
- Theory of long time peptide dynamics: Test of various reduced descriptions and role of internal variables (1991) (28)
- Comparison of complete model space quasidegenerate many-body perturbation theory for LiH with multireference coupled cluster method (1989) (28)
- Effect of residual interactions on polymer properties near the theta point. II: Higher moments and comparison with Monte Carlo calculations (1987) (28)
- Statistical mechanics of the packing of rods on a lattice: Cluster expansion for systematic corrections to mean field (1986) (28)
- On the Stokes problem for a suspension of spheres at nonzero concentrations. II. Calculations for effective medium theory (1979) (28)
- The folding transition state of protein L is extensive with nonnative interactions (and not small and polarized). (2012) (28)
- Angular distributions from photodissociations. V. The bent triatomic molecule (1983) (28)
- Influence of Monomer Structure and Interaction Asymmetries on the Miscibility and Interfacial Properties of Polyolefin Blends (1996) (28)
- Effective valence shell Hamiltonian and potential curves of the oxygen molecule from quasidegenerate many‐body perturbation theory (1991) (28)
- Distribution of vibrational populations of CO electronic states produced in CO2 photodissociation (1976) (27)
- Computation of the crosslink dependence of the effective Flory interaction parameter .chi. for polymer networks (1989) (27)
- Static structure factors of compressible polymer blends and diblock copolymer melts. 2. Constraints on density fluctuations (1991) (27)
- Benchmarking implicit solvent folding simulations of the amyloid beta(10-35) fragment. (2008) (27)
- Quantum mechanical theory of isotope effect on thermally activated hydrogen migration on W(110) (1985) (27)
- Generalized entropy theory of glass-formation in fully flexible polymer melts. (2016) (27)
- Automated real-space refinement of protein structures using a realistic backbone move set. (2011) (27)
- Dissociation of a diatomic molecule to atomic fine structure states: Electronically nonadiabatic effects upon resonant two‐photon dissociation (1984) (26)
- Test of theory for long time dynamics of floppy molecules in solution using Brownian dynamics simulation of octane (1993) (26)
- Dynamics and hydrodynamics of suspensions of translational–rotational Brownian particles at finite concentrations (1978) (26)
- Excluded volume effects in polymers attached to surfaces: Chain conformational renormalization group (1983) (26)
- On the large entropic contribution to the effective interaction parameter of polystyrene–poly(methyl methacrylate) diblock copolymer systems (1992) (26)
- Ab initio calculation of the effective valence shell hamiltonian of carbon: Simultaneous treatment of neutral and ion states (1978) (26)
- Stochastic Theory of Vibrational Relaxation and Dissociation (1970) (26)
- Test of renormalization group crossover dependence: comparison with exact solution for a polymer attached to a penetrable interacting hypersurface (1986) (26)
- Generalized Entropy Theory of Glass Formation in Polymer Melts with Specific Interactions (2015) (25)
- A one-dimensional microscopic model for the rate of thermal desorption of an atom. The role of multiphonon processes (1981) (25)
- Lattice model of equilibrium polymerization. V. Scattering properties and the width of the critical regime for phase separation. (2006) (25)
- Electronic structure of the calcium monohydroxide radical. (2005) (25)
- Theory of the molecular origins of the entropic portion of the Flory χ parameter for polymer blends (1987) (25)
- Two glass transitions in miscible polymer blends? (2014) (25)
- Cluster theory for concentration dependence of shear viscosity for suspensions of interacting spheres. I (1982) (25)
- Towards an ab initio determinition of all the parameters which appear in semi-empirical quantum chemical theories (1972) (25)
- Osmotic pressure of linear, star, and ring polymers in semidilute solution. A comparison between experiment and theory (1993) (24)
- Theoretical Studies on Excited States of a Phenolate Anion in the Environment of Photoactive Yellow Protein (2000) (24)
- Dissociation of diatomic molecules into atoms with non-vanishing electronic angular momentum. Theory (1981) (24)
- Orientation, alignment, and hyperfine effects on dissociation of diatomic molecules to open shell atoms (1986) (24)
- Ab initio effective valence shell Hamiltonian calculations of Li2 potential curves (1983) (24)
- The correlated pi-Hamiltonian of trans-butadiene as calculated by the ab initio effective valence shell Hamiltonian method: Comparison with semiempirical models (1983) (24)
- Dissociation of diatomic molecules into atoms with non-vanishing electronic angular momentum. physical motivation for theory (1981) (24)
- Polymer contraction below the .theta. point: a renormalization group description (1985) (23)
- Theoretical Foundations Of Purely Semi-Empirical Quantum Chemistry. III. Repulsion Integrals (1974) (23)
- Reappraisal of cis effect in 1,2-dihaloethenes: an improved virtual orbital multireference approach. (2008) (23)
- Lattice model of equilibrium polymerization. VI. Measures of fluid "complexity" and search for generalized corresponding states. (2007) (23)
- Explanation for the Inversion of an UCST Phase Diagram to a LCST Diagram in Binary Polybutadiene Blends (2000) (23)
- A Probabilistic and Continuous Model of Protein Conformational Space for Template-Free Modeling (2010) (23)
- The Algebra of Effective Hamiltonians and Operators: Exact Operators (2007) (23)
- Photodissociation of Diatomic Molecules to Open Shell Atoms (2007) (23)
- Image method for induced surface charge from many-body system of dielectric spheres. (2016) (23)
- Theoretical analysis of nonadiabatic effects on the predissociation of the A 2Σ+ state of OH (1987) (23)
- Trajectory-based training enables protein simulations with accurate folding and Boltzmann ensembles in cpu-hours (2018) (23)
- Modeling large regions in proteins: Applications to loops, termini, and folding (2012) (23)
- Influence of Pressure on Glass Formation in a Simulated Polymer Melt (2017) (23)
- Mean field theory of the hydrodynamics of concentrated polymer solutions (1978) (22)
- Computer simulation of met-enkephalin using explicit atom and united atom potentials : Similarities, differences, and suggestions for improvement (2003) (22)
- Context and force field dependence of the loss of protein backbone entropy upon folding using realistic denatured and native state ensembles. (2012) (22)
- A semiclassical magnus approximation to coupled space-time-dependent scattering equations (1977) (22)
- General approach to polymer chains confined by interacting boundaries. (2010) (22)
- Molecular Factors Affecting the Miscibility Behavior of Cycloolefin Copolymers (1999) (22)
- Comparison of high order perturbative convergence of multireference perturbation methods: Application to singlet states of CH2 (1997) (22)
- Abinitio computation of semiempirical π‐electron methods. II. Transferability of Hν parameters between ethylene, trans‐butadiene, and cyclobutadiene (1994) (21)
- Molecular mechanisms for disparate miscibilities of poly(propylene) and head-to-head poly(propylene) with other polyolefins (1998) (21)
- Ab Initio Calculation of One‐Center Integrals of Semiempirical Theories of Valence (1980) (21)
- Polymer migration in newtonian fluids (1985) (21)
- State-to-state photochemical reaction dynamics in polyatomic molecules (1979) (21)
- Electrostatic solvation energy for two oppositely charged ions in a solvated protein system: salt bridges can stabilize proteins. (2010) (21)
- Dynamics of linear and branched alkane melts: Molecular dynamics test of theory for long time dynamics (1998) (21)
- Polymers as Self-Avoiding Walks (1981) (21)
- Theory for long time polymer and protein dynamics: Basis functions and time correlation functions (1995) (21)
- Renormalization group treatment of excluded volume effects in a polyelectrolyte chain in the weak electrostatic coupling limit (1983) (20)
- Critical test of equation‐of‐motion–Green’s function methods. I. Theory of higher order terms (1980) (20)
- On the Hyperfine Structure of InH and the Theory of the Hyperfine Structure of Molecules in Hund's Case (C) (1966) (20)
- Relationship between one-electron green's function and quantum chemical theories☆ (1974) (20)
- Partial draining and universality of dilute solution polymer dynamics: comparison of theory and experiment (1988) (20)
- Franck-Condon theory of reactive scattering (1978) (20)
- Ab initio determination of bond length dependence of the correlated valence shell Hamiltonian of CH: Comparison with semiempirical theories (1984) (20)
- Even with nonnative interactions, the updated folding transition states of the homologs Proteins G & L are extensive and similar (2015) (20)
- Abinitio computation of semiempirical π‐electron methods. I. Constrained, transferable valence spaces in Hν calculations (1994) (20)
- General approach to polymer chains confined by interacting boundaries. II. Flow through a cylindrical nano-tube. (2011) (20)
- Nonadiabatic semiclassical scattering: Atom–diatom collisions in self‐consistent matrix propagator formalism (1983) (20)
- Polymers in two dimensions: renormalization group study using three-parameter model (1985) (20)
- Ab initio calculations of the pi electron hamiltonian: singlet-triplet splittings (1974) (20)
- Accurate calculation of side chain packing and free energy with applications to protein molecular dynamics (2018) (20)
- Explanation for the Unusual Phase Behavior of Polystyrene-b-poly(n-alkyl methacrylate) Diblock Copolymers: Specific Interactions (2000) (20)
- A wavefunction approach to equations of motion—Green's function methods (1977) (19)
- AB initio treatments of quasidegenerate many-body perturbation theory within the effective valence shell Hamiltonian formalism (1982) (19)
- First principles test of transferability hypothesis of semi-empirical theories using correlated ab initio effective valence shell hamiltonian methods (1981) (19)
- Comparison of Calculated and Measured Critical Flow Rates for Dragging Linear Polymer Chains through a Small Cylindrical Tube (2011) (19)
- Self‐consistent field theories of the polymer excluded volume problem. IV. The linear polymer (1978) (19)
- Electron correlation effects on the structure of all 3dn4sm valence states of Ti, V, and Cr and their ions as studied by quasidegenerate many‐body perturbation theory (1982) (19)
- Tests of using large valence spaces in quasidegenerate many‐body perturbation theory: Calculations of O2 potential curves (1984) (19)
- Limits of validity for mean field description of compressible binary polymer blends (1994) (19)
- Corrections to preaveraging approximation within the Kirkwood–Riseman model for flexible polymers: Calculations to second order in ε with both hydrodynamic and excluded volume interactions (1986) (19)
- Small-angle neutron scattering studies of polybutadiene/polystyrene blends as a function of pressure and microstructure: Comparison of experiment and theory (2001) (19)
- Entropy Theory of Polymer Glass-Formation in Variable Spatial Dimension. (2016) (19)
- Influence of compressibility and monomer structure on small angle neutron scattering from binary polymer blends (1992) (19)
- Comparison of semiclassical treatments for evaluating Franck–Condon transition amplitudes for molecular dissociation (1978) (19)
- Equilibrium polymerization models of re-entrant self-assembly. (2009) (19)
- Perturbative and complete model space linked diagrammatic expansions for the canonical effective operator (1994) (18)
- Polymer melts and polymer solutions near patterned surfaces (2000) (18)
- Thermodynamic scaling of dynamics in polymer melts: predictions from the generalized entropy theory. (2013) (18)
- Self-assembly in a polymer matrix and its impact on phase separation. (2008) (18)
- A novel implicit solvent model for simulating the molecular dynamics of RNA. (2013) (18)
- Influence of Frequency Shifts on Electron Transfer Processes (2003) (18)
- Photodissociation of homonuclear diatomics: Fine structure cross sections for Na2(X1Σg+) → Na(2S1/2) + Na(2P1/2,3/2 (1984) (18)
- Extended structures in RNA folding intermediates are due to nonnative interactions rather than electrostatic repulsion. (2010) (18)
- ENHANCEMENT OF QUANTUM INTERFERENCE EFFECTS. (1976) (18)
- Correlation lengths and chain sizes in PS/PVME blends: Influence of compressibility, interactions, and monomer structures (1992) (18)
- Radiative and nonradiative decay rates of molecules adsorbed on clusters of small dielectric particles (1985) (18)
- On the n-dependence of the reaction rate for C+ + C/n/yields C+/n + 1/ in interstellar space (1982) (17)
- Influence of draining and excluded volume on the translational diffusion coefficient of flexible polymers (1984) (17)
- Cluster expansion for concentration dependence of cooperative friction coefficients for suspensions of interacting spheres (1983) (17)
- End-to-end distance of a single self-interacting self-avoiding polymer chain: d -1 expansion (1992) (17)
- Force Constants in Hartree–Fock Theory (1970) (17)
- Extended rotational isomeric model for describing the long time dynamics of polymers (1996) (17)
- Interaction of a polymer chain with an asymmetric liquid-liquid interface (1986) (17)
- Extension of lattice cluster theory to strongly interacting, self-assembling polymeric systems. (2009) (17)
- Prediction of electronic structure of organic radicaloid anions using efficient, economical multireference gradient approach. (2011) (17)
- Mode coupling theory for calculating the memory functions of flexible chain molecules: Influence on the long time dynamics of oligoglycines (1997) (17)
- Solution of large configuration mixing matrices arising in partitioning technique and applications to the generalized eigenvalue problem (1975) (17)
- Surface properties of semi‐infinite diblock copolymer melts (1992) (17)
- Influence of variable draining and excluded volume on hydrodynamic radius within Kirkwood–Riseman model: Dynamical renormalization group description to order ε2 (1987) (17)
- EXACT SOLUTIONS FOR MANY-LEVEL-MULTIPLE-RESONANCE PROBLEMS. (1965) (17)
- Lattice Cluster Theory for Pedestrian. 2. Random Copolymer Systems (2000) (17)
- Relativistic effective valence shell Hamiltonian method: excitation and ionization energies of heavy metal atoms. (2005) (16)
- Self‐consistent field theories of the polymer excluded volume problem. III. A self‐consistent solution (1975) (16)
- Theoretical studies of the ground and excited state structures of stilbene. (2013) (16)
- Application of an efficient multireference approach to free-base porphin and metalloporphyrins: ground, excited, and positive ion states. (2011) (16)
- Interfacial behavior of compressible polymer blends (1993) (16)
- Exactly solvable model for nonradiative decay with variable coupling strength (1974) (16)
- Renormalization group study of Rouse–Zimm model of polymer dynamics through second order in ε (1986) (16)
- Conformational space renormalisation group theory of 'tricritical' (theta point) exponents for a polymer chain (1984) (16)
- On dynamic scaling theories of polymer solutions at nonzero concentrations (1980) (16)
- Long-time dynamics of Met-enkephalin: comparison of theory with Brownian dynamics simulations. (1999) (16)
- Design of natural collision coordinates to describe dissociation of polyatomic molecules (1978) (16)
- Influence of molecular geometry on valence space for quasidegenerate many-body perturbation theory (1987) (16)
- Elastic properties of a polymer chain with excluded volume: a renormalization group theory (1981) (15)
- Thermodynamic properties of lattice polymers: Monte Carlo simulations and mean-field theories (2000) (15)
- One-center integrals of the exact effective valence shell Hamiltonian. Empirical analysis for atoms (1980) (15)
- Perturbative many-body expansion for electrostatic energy and field for system of polarizable charged spherical ions in a dielectric medium. (2014) (15)
- Analytic theory of surface segregation in compressible polymer blends (1996) (15)
- Molecular origin of the free energy dependence on the monomer sequence in random copolymer systems (1996) (15)
- Cross linkage problem of polymers III. Dense cross linked system of polymers (1970) (15)
- Surface and finite size effects in critical phenomena (1986) (15)
- Analysis of the true parameters in the correlated effective valence shell Hamiltonian of Li2 and comparison with semiempirical parameters (1984) (15)
- Flexible polymers with excluded volume at a penetrable interacting surface (1987) (15)
- Stringlike Cooperative Motion Explains the Influence of Pressure on Relaxation in a Model Glass-Forming Polymer Melt. (2016) (15)
- Theory of photophysical properties of symmetric chlorophyll hydrated dimers (1980) (15)
- Comparison between equations-of-motion and green's function methods for the particle-hole response function (1975) (15)
- A critical comparison of theoretical and experimental electronic spectrum and potential energy curves of HF molecule and its positive and negative ions (2001) (15)
- Cross linkage problems of polymers II. Dilute cross linked systems of polymers (1970) (15)
- Direct path-integral treatment of the polaron problem (1983) (15)
- Configuration and interstitial relaxation processes (1975) (15)
- On Docking, Scoring and Assessing Protein-DNA Complexes in a Rigid-Body Framework (2012) (15)
- Non-adiabatic effects on the photodissociation of diatomic molecules to open-shell atoms. Resonances, polarizations and angular distributions for the CH+ model systems (1986) (15)
- Theoretical foundations of purely semi-empirical quantum chemistry. II. Molecular properties (1974) (15)
- The theory of radiationless processes in polyatomic molecules (1972) (14)
- Concentration dependence of the translational friction coefficient for polymer solutions (1976) (14)
- Analysis of exact valence shell hamiltonian: Nonclassical terms and molecular based parameters (1976) (14)
- Non-Gaussian corrections at the .THETA. point: comparison between theory, experiment, and numerical simulations (1985) (14)
- Polymer blends near patterned surfaces (2000) (14)
- Competition between self-assembly and surface adsorption. (2009) (14)
- Self consistent field theories of the polymer excluded volume problem. II. Reiss' variational approach (1971) (14)
- The algebra of effective Hamiltonians and operators: Truncated operators and computational aspects (1993) (14)
- Product Energy Distributions in the Dissociation of Polyatomic Molecules (1977) (14)
- Renormalisation group treatment of finite size scaling with ε expansion (1985) (14)
- Geometry optimization using improved virtual orbitals: a complete active space numerical gradient approach. (2007) (14)
- Lattice cluster theory of compressible diblock copolymer melts (1994) (13)
- Many-body perturbation theory and the variational pairs of quantum chemistry (1970) (13)
- Incorporation of excluded volume into the multiple-scattering theory of the concentration dependence of polymer dynamics (1983) (13)
- Mixtures of two self- and mutually-associating liquids: Phase behavior, second virial coefficients, and entropy-enthalpy compensation in the free energy of mixing. (2017) (13)
- Excluded volume effect on polymer dynamics in concentrated solutions (1976) (13)
- Fragment angular distributions from photodissociation of polyatomic molecules (1979) (13)
- Analysis of approximations and errors in equations of motion method calculations (1979) (13)
- Minimal model of relaxation in an associating fluid: viscoelastic and dielectric relaxations in equilibrium polymer solutions. (2006) (13)
- Quantum calculations of the polarized emission spectrum of methyl iodide : the importance of interference effects (1991) (13)
- Cluster theory for concentration dependence of shear viscosity for suspensions of interacting spheres. II. Calculation of Huggins coefficient (1982) (13)
- Conformation space renormalization of polymers. 4. Equilibrium properties of the simple ring polymer using Gell-Mann-Low type renormalization group theory (1981) (13)
- An exactly solvable model of hierarchical self-assembly. (2009) (13)
- Polymer dynamics including side group motion: Free draining limit (1980) (13)
- The ab initio effective dipole operator of CH: Comparisons with semiempirical methods (1992) (13)
- Quantum interference and asymptotic interactions in the photodissociation of SH: Total cross section and branching ratios (2001) (13)
- Immiscibility induced chain stretching, local segregation, and formation of locally ordered domains in diblock copolymers (1992) (13)
- Three‐dimensional analytical quantum mechanical theory for triatomic photodissociation: Role of angle dependent dissociative surfaces on rotational and angular distributions in the rotational infinite order sudden limit (1987) (13)
- A theoretical analysis of Raman scattering from predissociating molecules (1989) (13)
- Osmotic pressure of star and ring polymers in semidilute solution (1986) (13)
- The role of accepting modes in the theory of nonradiative transitions (1973) (13)
- Influence of draining and excluded volume on the intrinsic viscosity of flexible polymers (1985) (13)
- Influence of Stiffness, Monomer Structure, and Energetic Asymmetries on Polymer Blend Miscibilities: Applications to Polyolefins (1997) (13)
- Electronic angular momentum effects on photodissociation: fine structure cross sections and angular distributions for NaH → Na(2P12,32) + H(2S12) (1982) (13)
- Excluded volume effect on quasielastic neutron scattering from concentrated polymer solutions (1976) (13)
- Towards petascale ab initio protein folding through parallel scripting (2009) (12)
- Lifetimes of degenerate benzene 1B2u levels split by vibrational angular momentum (1987) (12)
- Statistical Mechanics of Systems with Internal Constraints: Rubber Elasticity (1971) (12)
- Solvation of polymers as mutual association. II. Basic thermodynamic properties. (2013) (12)
- Lattice cluster theory of associating polymers. I. Solutions of linear telechelic polymer chains. (2012) (12)
- On dynamic scaling theories of individual polymers in solution (1979) (12)
- Molecular applications of analytical gradient approach for the improved virtual orbital-complete active space configuration interaction method. (2010) (12)
- Toward a Molecular Basis for Understanding the Behavior of Isotopic Polymer Blends: Lattice Cluster Theory Computations for PSD/PSH Blends (1994) (12)
- Psi-constrained simulations of protein folding transition states: implications for calculating. (2009) (12)
- Analytical solution for steady-state populations in the self-assembly of microtubules from nucleating sites. (2002) (12)
- Dipole moment functions of OH by ab initio effective valence shell hamiltonian method (1988) (12)
- Lattice polymers with structured monomers: A Monte Carlo study of thermodynamic properties of melts and solutions (2002) (12)
- Low-energy resonances in photodissociation of CH+ (1984) (12)
- Interference effects in the polarized emission spectrum of methyl iodide at 248 nm: scattering through two coupled optically bright excited states (1991) (12)
- Determination of Slater–Condon and Trees parameters in terms of the exact effective valence shell Hamiltonian (1983) (12)
- Torsional time correlation function for one‐dimensional systems with barrier crossing: Periodic potential (1994) (12)
- Phase Behaviour of Polymer Blends (2005) (11)
- Correlated effective valence shell Hamiltonian for the first‐row transition metal atoms (1983) (11)
- Application of graph theory to the statistical thermodynamics of lattice polymers. I. Elements of theory and test for dimers (1996) (11)
- Mechanism for efficient collision induced intramolecular vibrational relaxation: Comparisons with experiment (1984) (11)
- Stochastic model for triplet yields (1976) (11)
- Block copolymers and polymer mixtures in dilute solution: General crossover analysis and comparison with Monte Carlo calculations (1987) (11)
- Multiple scattering theory calculation of the concentration dependence of the tracer and cooperative friction coefficients for Gaussian polymer chains (1983) (11)
- A simple method for faster nonbonded force evaluations (2005) (11)
- Hydration structure of met-enkephalin: A molecular dynamics study (2003) (11)
- Lattice cluster theory of associating polymers. II. Enthalpy and entropy of self-assembly and Flory-Huggins interaction parameter χ for solutions of telechelic molecules. (2012) (11)
- Coherence transfer processes in vibrational relaxation of polyatomic molecules in condensed media (1979) (11)
- Langevin dynamics of Rouse chains under flow (1988) (11)
- Semiclassical Limit of Multichannel Scattering Theory (1975) (11)
- Determination of conformational energy differences of propynlidyne isomers using the effective valence shell Hamiltonian method (2000) (11)
- Compressible models of equilibrium polymerization. (2005) (11)
- Relationship between renormalization group, two-parameter theory and Blob models of polymer excluded volume (1983) (11)
- Renormalization group theory of the Rouse−Zimm model of polymer dynamics to second order in ε. II: Dynamic intrinsic viscosity of gaussian chains (1987) (11)
- Analytic density-functional self-consistent-field theory of diblock copolymers near patterned surfaces. (2004) (11)
- Open-shell generalized perturbation theory (1974) (11)
- AB INITIO COMPUTATION OF SEMIEMPIRICAL PI -ELECTRON METHODS. IV: TRUE AND APPROXIMATE EFFECTIVE HAMILTONIANS FOR HEXATRIENE AND RELATED CONJUGATED POL YENES (1995) (11)
- Extended molecular dynamics and optimized Rouse–Zimm model studies of a short peptide: Various friction approximations (1995) (11)
- Ab initio test of the pairwise additivity assumption of semiempirical electronic structure: Spectator model of correlation contributions (1989) (11)
- On square‐gradient theories of polymer blend interfaces (1992) (11)
- Local Backbone Preferences and Nearest‐Neighbor Effects in the Unfolded and Native States (2012) (11)
- Generation of potential energy curves for the XΣg+1, BΔg+1, and B′Σg+1 states of C2 using the effective valence shell Hamiltonian method (2005) (10)
- A comparison of self-assembly in lattice and off-lattice model amphiphile solutions (2002) (10)
- Hypercubic lattice SAW exponents nu and gamma : 3.99 dimensions revisited (1993) (10)
- Ab initio study of cis‐butadiene valence and Rydberg states using the effective valence shell Hamiltonian method (1996) (10)
- Three‐dimensional analytic quantum theory for triatomic photodissociations. II. Angle dependent dissociative surfaces and rotational infinite order sudden approximation for bent triatomics (1990) (10)
- Ab initio description of the ground and excited states of cyanogen isomers (2006) (10)
- Folding and misfolding of the papillomavirus E6 interacting peptide E6ap (2003) (10)
- Polymer excluded volume and the renormalization group (1985) (10)
- Theory of competitive solvation of polymers by two solvents and entropy-enthalpy compensation in the solvation free energy upon dilution with the second solvent. (2015) (10)
- The static structure factors of compressible polymer blends and diblock copolymer melts (1990) (10)
- Composition dependent χ and microphase transitions of diblock copolymers (1991) (10)
- Spectroscopy of low-energy non-adiabatic resonances in photodissociation to open-shell atoms: CH+, a model system (1986) (10)
- Semidilute polymer solutions in the theta domain: A renormalization group study (1987) (10)
- Vector properties of S(3P) and S(1D) in the photodissociation of SH: Quantum interference and overlapping resonance (2002) (10)
- Bulk viscosity of polymer solutions (1977) (10)
- Phase behavior and second osmotic virial coefficient for competitive polymer solvation in mixed solvent solutions. (2015) (10)
- A selfconsistent field theory of electron localization in disordered systems: the Anderson transition (1971) (10)
- MICROSCOPIC PARAMETERS INFLUENCING THE PHASE SEPARATION IN COMPRESSIBLE BINARY BLENDS OF LINEAR SEMIFLEXIBLE POLYMERS (1997) (10)
- Long time dynamics of Met-enkephalin: Tests of mode-coupling theory and implicit solvent models (2003) (10)
- Erratum: Quasidegenerate many‐body perturbation theory of CH2 [J. Chem. Phys. 91, 1142 (1989)] (1991) (10)
- Non-adiabatic effects on oxygen atom fine structure populations in the predissociation of the A2Σ+ state of OH (1986) (9)
- Electronic structure of disordered materials (1974) (9)
- Influence of small rings on the thermodynamics of equilibrium self-assembly. (2012) (9)
- A Probabilistic Graphical Model for Ab Initio Folding (2009) (9)
- Theoretical Basis for Semiempirical Theories (1977) (9)
- Relation Between Solvent Quality and Phase Behavior of Ternary Mixtures of Polymers and Two Solvents that Exhibit Cononsolvency. (2016) (9)
- Dynamics in nonentangled concentrated polymer solutions. I. The full dynamic multiple scattering approach to first order in concentration (1984) (9)
- Incorporating advantages of time‐dependent dynamics in time‐independent collision methods: Early asymptotic analysis (1989) (9)
- Monte Carlo test of the lattice cluster theory: Thermodynamic properties of binary polymer blends (2001) (9)
- Photodissociation: isotope effects and comparisons between theory and experiment (1977) (9)
- Concentration fluctuations in miscible polymer blends: influence of temperature and chain rigidity. (2014) (9)
- Effect of various frictional models on long‐time peptide dynamics (1993) (9)
- Improved virtual orbital multireference Møller-Plesset study of the ground and excited electronic states of protonated acetylene, C2H3+. (2008) (9)
- Screening regimes for the viscosity of concentrated polymer solutions (1975) (9)
- Response function theory of electron correlation (1976) (9)
- Ab initio vertical ionization potentials of trans-butadiene and cyclobutadiene using the effective valence shell Hamiltonian method (1994) (9)
- Finite-size scaling close to the critical point: renormalisation group and epsilon expansion (1986) (9)
- Quantum theory of the full pressure dependence of collision induced intersystem crossing (1985) (8)
- Comparative Study of the Collective Dynamics of Proteins and Inorganic Nanoparticles (2017) (8)
- Generalizations of Huggins-Guggenheim-Miller-type theories to describe the architecture of branched lattice chains (1995) (8)
- Renormalization group treatment of excluded volume effects in a polyelectrolyte chain in the weak electrostatic coupling limit. II. Decomposition of interactions and calculation of properties (1986) (8)
- Exactly Soluble Model for High-Frequency Viscoelastic Behavior of Polymer Solutions (1978) (8)
- Collision‐Induced Intersystem Crossing (2007) (8)
- Entropy Theory of Polymer Glass-Formation Revisted (2005) (8)
- Theoretical basis for semi-empirical pseudopotentials (1974) (8)
- Nonrandom mixing in polymer blends: Implications for phase behavior (1997) (8)
- PRAGMATIC ANALYSIS FOR THE RANGE OF VALIDITY OF THE LATTICE CLUSTER THEORY (1999) (8)
- Quantum theory of the dynamics of electron stimulated desorption (1982) (8)
- Lattice cluster theory for phase behavior of rectangular mesogens (1994) (8)
- Solvation of polymers as mutual association. I. General theory. (2013) (8)
- Close‐coupled calculations of resonance widths observed in photodissociation spectra of CH+ (1989) (7)
- Test of transferability in the exact effective valence shell Hamiltonian of quasi-degenerate many-body perturbation theory: O2+ calculation from O2 effective Hamiltonian (1985) (7)
- Analytical representation for single vibronic level decay rates (1977) (7)
- Can the Miscibility of Telechelic Polymer Solutions Increase with Polymer Chain Length? (2012) (7)
- Packing entropy of extended, hard, rigid objects on a lattice (1993) (7)
- Apparent radius of gyration of diblock copolymers (1989) (7)
- Role of intramolecular vibrational relaxation on electron transfer rates: application to pentaammineruthenium(III) (histidine-33)-ferricytochrome c (1983) (7)
- Modification of continuum chain model of surface-interacting polymers to describe the crossover between weak and strong adsorption (1997) (7)
- Ab initio calculations of the π Hamiltonian of trans-butadiene including electron correlations (1983) (7)
- The Flory .chi. parameter and phase separation in semidilute polymer mixtures: a renormalization group study (1988) (7)
- Towards a molecular theory for modeling long-time polymer dynamics (1994) (7)
- A critical analysis of the ground and excited electronic states of transition metal nitrides using the relativistic effective Hamiltonian method (2003) (7)
- Small angle neutron scattering studies of a polybutadiene'polystyrene blend with small additions of ortho-dichloro-benzene for varying temperatures and pressures. II. Phase boundaries and Flory-Huggins parameter (2002) (7)
- Static Scattering Function for a Polymer Chain in a Good Solvent (1981) (7)
- Image method for electrostatic energy of polarizable dipolar spheres. (2017) (7)
- Cooperative folding near the downhill limit determined with amino acid resolution by hydrogen exchange (2016) (7)
- Diffusion in random media as a problem of interacting Bose and Fermi fields (1984) (7)
- Examination of the 1/d expansion method from exact enumeration for a self-interacting self-avoiding walk (1994) (7)
- Concentration dependence of friction coefficients for polymer chains in solution (1983) (7)
- Abinitio computation of semiempirical π‐electron methods. V. Geometry dependence of Hν π‐electron effective integrals (1996) (7)
- Generalized Perturbation Theory and its Application to the Problem of the Description of Electron Correlation in Atoms and Molecules (1968) (7)
- Theoretical test of nonequilibrium experimental method for measuring heats of adsorption (1981) (6)
- Phase behavior of polymer blends (2005) (6)
- Surface transition and epsilon expansion (1985) (6)
- Erratum: Molecular properties by abinitio quasidegenerate many‐body perturbation theory effective Hamiltonian method: Dipole and transition moments of CH and CH+ [J. Chem. Phys. 88, 2659 (1988)] (1988) (6)
- Concentration dependence of the viscoelastic properties of polymer solutions and suspensions (1980) (6)
- Change of a flexible polymer's free energy due to excluded volume, molecular architecture and the presence of boundaries (1987) (6)
- Theory of correlation measurements of resonance light scattering (1978) (6)
- Thermodynamics of a dense self-avoiding walk with contact interactions (1992) (6)
- Building A Bridge Between AB Initio and Semiempirical Theories of Molecular Electronic Structure (1995) (6)
- Influence of initial state bend—stretch couplings on product rotational distributions in photodissociation of bent triatomic molecules (1991) (6)
- Theory for long time polymer and protein dynamics: Tests for all‐atom models of alkane dynamics (1996) (6)
- General discussion: Molecular-beam scattering - theoretical (1973) (6)
- Polymer Glass-Formation in Variable Dimension (2015) (6)
- Theory for time resolved emission spectra (1975) (6)
- Evaluation of analytic molecular orbital derivatives and gradients using the effective valence shell Hamiltonian method (1998) (6)
- Effective many-body interactions in exact valence-shell hamiltonians (1981) (6)
- Dilute polymer solutions in flow: derivation of hydrodynamic equations (1989) (6)
- Cluster expansion for flexible polymeric fluids in which bonding constraints are treated as perturbations (1989) (6)
- Ionic strength independence of charge distributions in solvation of biomolecules. (2014) (6)
- A Membrane Burial Potential with H-Bonds and Applications to Curved Membranes and Fast Simulations. (2018) (6)
- Ab initio computation of semiempirical π‐electron methods. III. The benzene molecule, the zero‐differential‐overlap approximation, and the transferability of parameters (1994) (6)
- Lattice cluster theory for the packing of rods on a lattice: Extension to treat anisotropic orientational distributions (1993) (5)
- Conformations of a polymer boxed into a corner: Role of excluded volume (1991) (5)
- On the Interpretation of Force-Induced Unfolding Studies of Membrane Proteins Using Fast Simulations. (2019) (5)
- Actin polymerization under pressure: a theoretical study. (2007) (5)
- Light scattering with evanescent waves: Intermolecular interference and the structure factor for an ideal flexible chain at an interacting interface (1990) (5)
- Three‐dimensional analytical infinite order sudden quantum theory for triatomic photodissociation: Dependence on initial rotational and vibrational state and on thermal averages for NOCl dissociation on T1(1 3A‘) surface (1994) (5)
- Molecular modeling of polymer blends: Stabilization of blends by block copolymers (1995) (5)
- Quadratic Padé approximants and the intruder state problem of multireference perturbation methods (2005) (5)
- Hyperbolic tangent variational approximation for interfacial profiles of binary polymer blends (1995) (5)
- Vibronic coupling and spin sublevel decay rates (1977) (5)
- Energetically driven asymmetries in random copolymer miscibilities and their pressure dependence (1997) (5)
- A lattice-model molecular theory for the properties of polymer blends (1995) (5)
- Lattice cluster theory of associating telechelic polymers. III. Order parameter and average degree of self-assembly, transition temperature, and specific heat. (2012) (5)
- Polarization effects in resonance Raman scattering from coupled optically bright states (1992) (5)
- Effects of surface, wedge, corner, and mixed boundary conditions on the local critical behaviour (1990) (5)
- THE CONCENTRATION DEPENDENT COOPERATIVE FRICTION COEFFICIENT OF DILUTE POLYMER SOLUTIONS AT THE THETA POINT (1996) (5)
- The effective valence shell Hamiltonian for spin-orbit coupling (2003) (5)
- Application of the effective valence shell Hamiltonian method to accurate estimation of oscillator strengths and excitation energies of Mg-like ions (1998) (5)
- Interfacial behavior of phase separated asymmetric compressible binary polymer blends (1996) (5)
- Renormalization group description of polymer excluded volume (1983) (4)
- Communication: The simplified generalized entropy theory of glass-formation in polymer melts. (2015) (4)
- Path integrals and optical potentials for elastic and inelastic scattering (1975) (4)
- Non-radiative decay and mode mixing in benzene (1986) (4)
- Effective medium theory for elastic matrix composites containing dispersed particulates (1988) (4)
- Lattice theory of competitive binding: Influence of van der Waals interactions on molecular binding and adsorption to a solid substrate from binary liquid mixtures. (2018) (4)
- Quantum dynamics of a molecule (atom) in a coherent radiation field (1979) (4)
- Concentration dependence of the viscoelastic properties of polymer solutions (1983) (4)
- The Excited and Ion States of Allene (2002) (4)
- Multiexponential approximations to the torsional time correlation function for one‐dimensional systems with many barriers (1995) (4)
- Coupled-cluster response theory: parallel algorithms and novel applications (2009) (4)
- Dynamic multiple scattering theory of the Huggins coefficient for discrete Gaussian chains. II. Numerical computations of the frequency dependence and steady state limit (1987) (4)
- Mode coupling theory for calculating the memory functions of flexible polymers: Local dynamics of oligoglycines (1998) (4)
- Response to "Draining in Dilute Polymer Solutions and Renormalization", Macromolecules 1995, 28, 4039 (1995) (4)
- Extrapolation solution for conformational characteristics of random copolymers (1982) (4)
- Dynamics in nonentangled concentrated polymer solutions. II. Model calculations to first order in concentration (1984) (4)
- Packing rods on d‐dimensional lattices: From direct enumeration to series expansions (1994) (4)
- Nonadiabatic effects on the photodissociation of diatomic molecules to open-shell atoms. [CH/sup +/ + h nu. -->. C/sup +/(2²Pâ2, 3/2/) + H(1²S)] (1987) (4)
- Theoretical Analysis of Experimental Probes of Dynamics of Intramolecular Vibrational Relaxation (1983) (4)
- Liquid-state theory derivation of surface accessible solvation potential models for proteins (2002) (4)
- Critical Comparison Between Equation of Motion-Green's Function Methods and Configuration Interaction Methods: Analysis of Methods and Applications (1980) (4)
- Prediction and Validation of a Protein’s Free Energy Surface Using Hydrogen Exchange and (Importantly) Its Denaturant Dependence (2021) (4)
- Theory for the nonequilibrium dynamics of flexible chain molecules: Relaxation to equilibrium of pentadecane from an all-trans conformation (1998) (3)
- Critical exponents from scaling with neglect of cutoffs (1979) (3)
- Maximum-likelihood, self-consistent side chain free energies with applications to protein molecular dynamics (2016) (3)
- Surface tension of dilute polymer solutions. I. A renormalization group approach (1992) (3)
- Lattice cluster theory for phase behavior of rectangular mesogens. II. Nearest‐neighbor interactions, phase diagrams, and competitive nematic orderings (1995) (3)
- Green's function semiclassical quantization of non-closed quasiperiodic classical trajectories (1981) (3)
- Dielectric virial expansion of polarizable dipolar spheres. (2018) (3)
- On contributions from non‐Born–Oppenheimer corrections to the calculation of large distance electron transfer rates (1986) (3)
- Erratum: Orientation, alignment, and hyperfine effects on dissociation of diatomic molecules to open shell atoms [J. Chem. Phys. 84, 3762 (1986)] (1987) (3)
- Trajectory-Based Parameterization of a Coarse-Grained Forcefield for High-Thoughput Protein Simulation (2017) (3)
- A density functional theory of polymer phase transitions and interfaces. II. Block copolymers (1990) (3)
- Dynamics in nonentangled concentrated polymers solutions. III. Exact calculations of the frequency dependent relaxation times and normal mode autocorrelation function to first order in concentrations (1984) (3)
- Comparison between Borel resummation and renormalization group descriptions of polymer expansion (1988) (3)
- Rapid calculation of side chain packing and free energy with applications to protein molecular dynamics (2016) (3)
- Polydispersity corrections on excluded volume dependence in flexible polymers (1984) (3)
- Lattice cluster theory of associating polymers. IV. Phase behavior of telechelic polymer solutions. (2012) (3)
- Surface tension of dilute polymer solutions. II. The second virial coefficient (1993) (3)
- N Representability of Fermion Density Matrices (1967) (3)
- On the equivalence of the Kirkwood diffusion equation to the coupled polymer-solvent Langevin dynamics (1988) (3)
- Photodissociation of molecules physisorbed on inert crystalline surfaces (1993) (3)
- Lattice model of linear telechelic polymer melts. I. Inclusion of chain semiflexibility in the lattice cluster theory. (2015) (3)
- Role of free volume on the interpretation of effective blend interaction parameters from neutron scattering data (1988) (3)
- Self-consistent solution for the self-avoiding walk (1974) (3)
- Cooperativity in self-limiting equilibrium self-associating systems. (2012) (3)
- Molecular modeling of phase behavior of polymer blends (1996) (2)
- Theoretical aids in screening candidates for atomic clocks: Illustration for Yb II (2012) (2)
- Intensity correlation function for a resonant weak light field scattered by a many-particle system. The bunched and antibunched components (1980) (2)
- Reply to the Comment on "Effective mass of the Fröhlich polaron" (1984) (2)
- A Scaling Analysis of Theories of the Viscoelastic Properties of Entangled Polymer Systems (1980) (2)
- Chain stretching in ordered microphases of diblock copolymers (1991) (2)
- Lattice cluster theory for pedestrians: models for random copolymer blends (2000) (2)
- Quantum Mechanical Model of the Dynamics of Desorption Processes (1982) (2)
- Dynamic multiple scattering theory of the Huggins coefficient for discrete Gaussian chains. I. Formal derivation of the full frequency dependence (1987) (2)
- Spin‐independent three‐body effective valence‐shell operators: Application to molecular oxygen (1992) (2)
- Third‐order quasidegenerate many‐body perturbation theory calculations for valence state correlation energies of the nitrogen and oxygen atoms and their ions (2009) (2)
- Low-energy atomic scattering of ground-state C+(2P) ions by atomic hydrogen: role of non-adiabatic couplings and resonances in elastic and inelastic processes (1987) (2)
- Collisional Effects on Electronic Relaxation Processes (2007) (2)
- Lattice model of linear telechelic polymer melts. II. Influence of chain stiffness on basic thermodynamic properties. (2015) (2)
- Mixtures of lattice polymers with structured monomers. (2004) (2)
- 3 – On Rotational Effects in Radiationless Processes in Polyatomic Molecules (1980) (2)
- Three-dimensional infinite order sudden quantum theory for indirect photodissociation processes. Application to the photofragment yield spectrum of NOCl in the region of the T1(13A″) ←S0(11A′) transition. Fragment rotational distributions and thermal averages (1997) (2)
- Energy dependence of nonradiative decay in polyatomic molecules (2009) (2)
- Lattice cluster theory for dense, thin polymer films. (2015) (2)
- Tunneling in Surface Diffusion (1986) (1)
- Lattice theory for binding of linear polymers to a solid substrate from polymer melts. II. Influence of van der Waals interactions and chain semiflexibility on molecular binding and adsorption. (2019) (1)
- Quadratic spatial anisotropy model with singularities: comparison between exact solution and renormalisation group for crossover dependence (1986) (1)
- Exponents for electrical conductivity in disordered materials (1979) (1)
- Theory of Diatomic Photodissociation to Atomic Hyperfine Structure States (1990) (1)
- Membrane Bilayers Help to Stabilize and are Affected by Aβ-Fibrils on the Surface: A Molecular Dynamics Study (2017) (1)
- Lattice theory for binding of linear polymers to a solid substrate from polymer melts: I. Influence of chain connectivity on molecular binding and adsorption. (2019) (1)
- Semidilute good solvent solutions of polymers in a box. Finite size corrections by renormalization group methods (1988) (1)
- Test of a Multi-Reference Many-Body Perturbation Theory for the Description of Electron Correlations in four Valence Electron States of Transition Metal Atoms (1986) (1)
- Aβ Fibrils Can Act as Aqueous Pores: a Molecular Dynamics Study (2018) (1)
- Entropy Theory of Polymer Glass-Formation Revisited. II. Influence of Mass, Pressure, and Size of Side Groups and Similarities to Equilibrium Polymerization | NIST (2006) (1)
- Including H-Bonding in Depth-Dependent Membrane Burial Potentials for Improving Folding Simulations (2016) (1)
- Ab initio Study of Cyclobutadiene Using the Effective Valence Shell Hamiltonian Method. (1994) (0)
- Polymer Prize: The Many Varied Phenomena of Equilibrium Self-assembly/polymerization (2014) (0)
- The Relationship Between the Number of Residues in the Dynamics and Stability of the A-Beta Amyloid, a Molecular Dynamics Study (2012) (0)
- Measuring the solvent quality of water for disordered proteins from a single SAXS measurement (2018) (0)
- Using Folding Pathways to Predict Protein Structure (2008) (0)
- Simulations of protein folding transition states using ψ-values (2009) (0)
- Amyloid-β Peptide Interaction with Lipid Bilayer Promotes Peptide Aggregation on the Surface and Modulates Lipid Behavior (2018) (0)
- State-selected angular distributions in molecular photodissociations (1981) (0)
- All atom long time peptide dynamics and protein folding (2002) (0)
- Entropy Theory of Polymer Glass-Formation Revisited. I. Characteristic Temperatures, Fragility, and Relaxation Times | NIST (2005) (0)
- CORRIGENDUM: Effects of surface, wedge, corner, and mixed boundary conditions on the local critical behaviour (1990) (0)
- Energetics of the Photodissociation of Polyatomic Molecules (1980) (0)
- Molecular Factors Controlling Miscibility of Polymer Blends (1998) (0)
- Leading concentration correction to polymer dynamic self-structure factor (1989) (0)
- AB INITIO EVALUATION OF CORRELATION CONTRIBUTIONS TO THE TRUE PI‐ELECTRON HAMILTONIAN, ETHYLENE (1974) (0)
- Image method for Coulomb energy for many-body system of charged dielectric spheres (2015) (0)
- Abstract Submitted for the MAR10 Meeting of The American Physical Society Mimicking the folding pathway to improve homology-free protein structure prediction (2012) (0)
- Water Dynamics and Interactions Inside Amyloid-Beta Fibrils (2020) (0)
- Towards the Molecular Design of Novel Sensor and High Tech Polymeric Systems (2000) (0)
- Towards the Molecular Design of Composite Materials (1994) (0)
- Molecular dynamics study of water channels in natural and synthetic amyloid-β fibrils. (2021) (0)
- New Molecular Theory for Dense, Thin Polymer Films (2015) (0)
- Generation of potential energy curves for the X 1 S g + , B 1 D g + , and B 8 1 S g + states of C 2 using the effective valence shell Hamiltonian method (2005) (0)
- Dynamics studies of tryptophan and single tryptophan containing peptides: simulations and an analytical model (1990) (0)
- Resolving the Puzzle of Two Glass Transitions in Miscible Polymer Blends (2014) (0)
- The Conformation of Aβ-Peptide Aggregates on 2D Surfaces is Different than in Solution: A Molecular Dynamics Study (2016) (0)
- ROTATIONAL AND ANGULAR DISTRIBUTIONS FROM PHOTODISSOCIATIONS. III. EFFECTS OF F DYNAMIC AXIS SWITCHING IN LINEAR TRIATOMIC MOLECULES (1981) (0)
- The Effect of Amyloid Precursor Protein Dimerization on its Conformation and Cleavage (2019) (0)
- General features of coherence effects in spectroscopy (1981) (0)
- Prediction of a Protein‘s Free Energy Surface and Validation with Hd Exchange (2021) (0)
- GREEN'S FUNCTION SEMICLASSICAL QUANTUATION OF NON-CLOSED QUASlPERIODlC CLASSICAL TRAJE(3TORlES * (1981) (0)
- Segmental dynamics of miscible polymer blends : Comparison of the predictions of a concentration fluctuation model to experiment (2014) (0)
- Towards a molecular theory of polymer blends (1994) (0)
- Inverse Protein Folding of Ubiquitin on the Illinois Bio-Grid (2006) (0)
- Time-resolved spectroscopy: Wavepacket formalism in the coherent-state representation (1982) (0)
- Renormalization Group Treatment of the Hydrodynamics of Polymer Chains in the Rigid Body Approximation (1987) (0)
- Properties of Localized States in Disordered Materials (1973) (0)
- Numerical assessment of residual formability in sheet metal products: towards design for sustainability (2016) (0)
- Rotational distributions from photodissociation. II. Results for ICN+h. nu -->. l+CN(X /sup 2/. sigma. /sup +/) (1979) (0)
- Polymers and Random Walks-Renormalization Group Description and Comparison With Experiment. (1986) (0)
- Fragility of Glass-Forming Polymer Liquids | NIST (2005) (0)
- Generation of potential energy curves for the X1Sigma(+)g, B1Delta(+)g, and B'1Sigma(+)g states of C2 using the effective valence shell Hamiltonian method. (2005) (0)
- Folding Membrane Proteins by Contacts Inferred from Non-Membrane Proteins and Near-Atomic Level Refinement (2017) (0)
- Erratum: "Ionic strength independence of charge distributions in solvation of biomolecules" [J. Chem. Phys. 141, 22D503 (2014)]. (2016) (0)
- Recent advances with generalized entropy theory of glass-formation in polymers (2016) (0)
- Differences in Dynamics and Stability of the Wild Type Beta-Amyloid Aβ1-40, and ΔE22-Aβ1-39 (Japanese) Mutant Protofibril Structures, a Molecular Dynamics Study (2014) (0)
- Phase field method for nonequilibrium dynamics of reversible self-assembly systems. (2013) (0)
- Multi-Step Relaxation in Equilibrium Self-Assembling Solutions: A General Model of Relaxation in 'Complex' Fluids | NIST (2008) (0)
- Aβ Fibrils Act as Aqueous Pores: A Molecular Dynamics Study (2016) (0)
- Product vibrational distribution from photo-induced dissociation processes (1976) (0)
- Protein folding without use of homology or machine learning (2015) (0)
- Electronic Energy Partitioning in Photodissociation (1983) (0)
- Ab initio Computation of Semiempirical π-Electron Methods. Part 2. Transferability of Hν Parameters Between Ethylene, trans-Butadiene, and Cyclobutadiene. (1995) (0)
- Elastic moduli of systems with statistical constraints (1970) (0)
- Viscosity of random coil polymers with nonzero thickness (1978) (0)
- Competition between Particle Association and Phase Separation in Model Associating Fluids: Equilibrium Polymerization in Solution with Chemical Initiation and Thermal Activation (2004) (0)
- Fast, Atomic-Level AFM and Magnetic Tweezers Simulations of the Unfolding of Membrane Proteins using a New Membrane Burial Potential with H-Bonding (2019) (0)
- Annual Report for Contract N00014-91-J-1442 (University of Chicago) (1991) (0)
- A Multi-scale Study of β-Amyloid Wild-Type and Mutant Peptides: Monomers, Oligomers, Fibrils (2018) (0)
- Toward Molecular Engineering of Polymer Glasses (2017) (0)
- The Oakland Drive Neighborhood City of Kalamazoo, Michigan: A Study of Neighborhood Planning (1976) (0)
- ELECTRON CORRELATION EFFECTS ON THE STRUCTURE OF Ti, V, Cr AND THEIR IONS AS STUDIED BY MANY-BODY PERTURBATION THEORY (1982) (0)
- The Differences in Dynamics and Stability of the Wild Type Beta-Amyloid Aβ1-40, and ΔE22-Aβ1-39 (Japanese) Mutant, a Molecular Dynamics Study (2013) (0)
- Excluded volume and concentration dependence of hydrodynamics of polymer solutions (2008) (0)
- Upside: A New Dynamics Method Capable of Cooperative De Novo Protein Folding in CPU-Hours (2016) (0)
- Theory of competitive solvation of polymers by two solvents and enthalpy-entropy compensation (2015) (0)
- Characterizing Disordered Protein Ensembles Using Small‐angle Scattering (2018) (0)
- Three-dimensional analytical infinite order sudden quantum theory for triatomic indirect photodissociation processes (1997) (0)
- N ov 2 01 6 Polymer Glass-Formation in Variable Dimension (2015) (0)
- Measuring the (Good) Solvent Quality of Water for Disordered Proteins from a Single SAXS Measurement (2017) (0)
- Electronic relaxation processes in benzene and related molecules (1976) (0)
- Ab initio Study of the trans-Butadiene π-Valence States Using the Effective Valence Shell Hamiltonian Method. (2010) (0)
- Miscibility behavior for blends of semiflexible chains (1996) (0)
- Challenges and Advantages of Accounting for Backbone Flexibility in Prediction of Protein-Protein Complexes. (2022) (0)
- Theory for Long Time Polymer and Protein Dynamics : BasisFunctions and Time Correlation (2007) (0)
- Flory-Huggins Model of Dynamic Clustering and Phase Behavior in the Stockmayer Fluid (2003) (0)
- Upside: Protein Folding in CPU-Hours with Applications to Force-Unfolding of Membrane Proteins (2020) (0)
- Surface Interactions Restricts Amyloid-β Peptides Movements Resulting in their Rapid Self-Assembly into β Sheets; a Molecular Dynamics Study (2015) (0)
- Investigating the Origins of Fractional ψ-values in Protein Folding Transition States (2009) (0)
- Self-assembly and glass-formation in a lattice model of telechelic polymer melts: Influence of stiffness of the sticky bonds. (2016) (0)
- AB INITIO COMPUTATIONS OF SEMIEMPIRICAL PI-ELECTRON METHODS: STRUCTURE AND TRANSFERABILITY OF PARAMETERS (1994) (0)
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