Richard Lee. Martin
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Richard Lee. Martinchemistry Degrees
Chemistry
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Quantum Chemistry
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Physical Chemistry
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Chemistry
Richard Lee. Martin's Degrees
- PhD Chemistry Stanford University
- Bachelors Chemistry University of California, Berkeley
Why Is Richard Lee. Martin Influential?
(Suggest an Edit or Addition)Richard Lee. Martin'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
- NATURAL TRANSITION ORBITALS (2003) (1682)
- Energy band gaps and lattice parameters evaluated with the Heyd-Scuseria-Ernzerhof screened hybrid functional. (2005) (1385)
- Revised Basis Sets for the LANL Effective Core Potentials. (2008) (981)
- The Drosophila ninaE gene encodes an opsin (1985) (505)
- Ab initio quantum chemistry using the density matrix renormalization group (1998) (401)
- CONTROLLING CHARGE INJECTION IN ORGANIC ELECTRONIC DEVICES USING SELF-ASSEMBLED MONOLAYERS (1997) (348)
- Covalency in f-element complexes (2013) (338)
- Effect of Fock exchange on the electronic structure and magnetic coupling in NiO (2002) (324)
- Hydrolysis of ferric ion in water and conformational equilibrium (1997) (320)
- Theoretical study of CeO2 and Ce2O3 using a screened hybrid density functional. (2006) (219)
- Density functional calculations on first‐row transition metals (1994) (216)
- Hybrid density-functional theory and the insulating gap of UO2. (2002) (216)
- Covalency in the actinide dioxides: Systematic study of the electronic properties using screened hybrid density functional theory (2007) (209)
- Antiferromagnetic Exchange Interactions from Hybrid Density Functional Theory (1997) (193)
- The hydration number of Li{sup +} in liquid water (2000) (185)
- Theoretical Studies of the Properties and Solution Chemistry of AnO22+and AnO2+Aquo Complexes for An = U, Np, and Pu (2000) (185)
- Unravelling the mechanism of the asymmetric hydrogenation of acetophenone by [RuX2(diphosphine)(1,2-diamine)] catalysts. (2014) (181)
- All-electron relativistic calculations on silver hydride. An investigation of the Cowan-Griffin operator in a molecular species (1983) (177)
- Relativistic contributions to the low‐lying excitation energies and ionization potentials of the transition metals (1981) (176)
- Density functional theory studies of the electronic structure of solid state actinide oxides. (2013) (160)
- Determining relative f and d orbital contributions to M-Cl covalency in MCl6(2-) (M = Ti, Zr, Hf, U) and UOCl5(-) using Cl K-edge X-ray absorption spectroscopy and time-dependent density functional theory. (2012) (151)
- Real-time observation of nonlinear coherent phonon dynamics in single-walled carbon nanotubes (2006) (150)
- Covalency in lanthanides. An X-ray absorption spectroscopy and density functional theory study of LnCl6(x-) (x = 3, 2). (2015) (149)
- Spin-orbit splittings and energy band gaps calculated with the Heyd-Scuseria-Ernzerhof screened hybrid functional (2006) (145)
- Trends in covalency for d- and f-element metallocene dichlorides identified using chlorine K-edge X-ray absorption spectroscopy and time-dependent density functional theory. (2009) (145)
- Density functional calculations on actinide compounds: Survey of recent progress and application to [UO2X4]2− (X=F, Cl, OH) and AnF6 (An=U, Np, Pu) (1999) (143)
- Theoretical studies of the structures and vibrational frequencies of actinide compounds using relativistic effective core potentials with Hartree–Fock and density functional methods: UF6, NpF6, and PuF6 (1998) (132)
- Molecular and solid-state properties of tris-(8-hydroxyquinolate)-aluminum (2000) (123)
- Assessment of metageneralized gradient approximation and screened Coulomb hybrid density functionals on bulk actinide oxides (2006) (122)
- Molecular geometry fluctuations and field-dependent mobility in conjugated polymers (2001) (117)
- Effective Core Potentials for DFT Calculations (1995) (114)
- Superconductivity in oxides: toward a unified picture (1989) (109)
- MAGNETIC COUPLING IN IONIC SOLIDS STUDIED BY DENSITY FUNCTIONAL THEORY (1998) (109)
- Electronic structure of the sodium trimer (1978) (105)
- Comparison of screened hybrid density functional theory to diffusion Monte Carlo in calculations of total energies of silicon phases and defects (2006) (104)
- Extended x-ray-absorption fine-structure amplitudes—Wave-function relaxation and chemical effects (1978) (101)
- Crown ether inclusion complexes of the early actinide elements, [AnO2(18-crown-6)]n+, An = U, Np, Pu and n = 1, 2: a relativistic density functional study. (2008) (100)
- Lattice defects and magnetic ordering in plutonium oxides: a hybrid density-functional-theory study of strongly correlated materials. (2005) (94)
- Application of time-resolved infrared spectroscopy to electronic structure in metal-to-ligand charge-transfer excited states. (2002) (92)
- Theoretical Study of Stable Trans and Cis Isomers in [UO(2)(OH)(4)](2-) Using Relativistic Density Functional Theory. (1998) (92)
- Localization of Electronic Excitations in Conjugated Polymers Studied by DFT (2011) (90)
- Effect of spin-orbit coupling on the actinide dioxides AnO2 (An=Th, Pa, U, Np, Pu, and Am): a screened hybrid density functional study. (2012) (86)
- New evidence for 5f covalency in actinocenes determined from carbon K-edge XAS and electronic structure theory (2014) (86)
- Density and wave function analysis of actinide complexes: what can fuzzy atom, atoms-in-molecules, Mulliken, Lowdin, and natural population analysis tell us? (2004) (82)
- Theoretical investigations of uranyl-ligand bonding: four- and five-coordinate uranyl cyanide, isocyanide, carbonyl, and hydroxide complexes. (2005) (82)
- Electronic structure and spectroscopy of [Ru(tpy)(2)](2+), [Ru(tpy)(bpy)(H(2)O)](2+), and [Ru(tpy)(bpy)(Cl)](+). (2009) (80)
- Importance of energy level matching for bonding in Th(3+)-Am(3+) actinide metallocene amidinates, (C(5)Me(5))(2)[(i)PrNC(Me)N(i)Pr]An. (2010) (79)
- Systematic studies of early actinide complexes: uranium(IV) fluoroketimides. (2007) (74)
- An ab initio study of the bonding in diatomic nickel (1980) (74)
- Defining Electronic Excited States Using Time-Resolved Infrared Spectroscopy and Density Functional Theory Calculations† (2004) (73)
- On the excited states involved in the luminescent probe [Ru(bpy)2dppz]2+. (2005) (71)
- Interfacial electron transfer in TiO(2) surfaces sensitized with Ru(II)-polypyridine complexes. (2009) (71)
- Density functional investigations of the properties and thermochemistry of UF6 and UF5 using valence-electron and all-electron approaches. (2004) (70)
- Tetrahalide complexes of the [U(NR)2]2+ ion: synthesis, theory, and chlorine K-edge X-ray absorption spectroscopy. (2013) (70)
- Predicting 9Be nuclear magnetic resonance chemical shielding tensors utilizing density functional theory. (2004) (67)
- Atomistic model of helium bubbles in gallium-stabilized plutonium alloys (2006) (66)
- Role of d and f orbitals in the geometries of low-valent actinide compounds. Ab initio studies of U(CH{sub 3}){sub 3}, Np(CH{sub 3}){sub 3}, and Pu(CH{sub 3}){sub 3} (1992) (61)
- Electronic structure of self-assembled amorphous polyfluorenes. (2008) (61)
- Sulfur K-edge X-ray absorption spectroscopy and time-dependent density functional theory of dithiophosphinate extractants: minor actinide selectivity and electronic structure correlations. (2012) (59)
- All‐electron and valence‐electron calculations on AgH, Ag2, and AgO (1985) (59)
- Molecular and Electronic Structure in the Metal-to-Ligand Charge Transfer Excited States of fac-[Re(4,4‘-X2bpy)(CO)3(4-Etpy)]+* (X = CH3, H, Co2Et). Application of Density Functional Theory and Time-Resolved Infrared Spectroscopy (2004) (58)
- Energy-Degeneracy-Driven Covalency in Actinide Bonding. (2018) (57)
- Quantitative Evidence for Lanthanide-Oxygen Orbital Mixing in CeO2, PrO2, and TbO2. (2017) (55)
- An effective core potential investigation of Ni, Pd, and Pt and their monohydrides (1986) (55)
- Dispersion in the Mott insulator UO2: A comparison of photoemission spectroscopy and screened hybrid density functional theory (2008) (55)
- The lowest excited 1A2 and 1B1 states of ozone: Two conical intersections and their impact on photodissociation (1991) (54)
- Covalency in metal-oxygen multiple bonds evaluated using oxygen K-edge spectroscopy and electronic structure theory. (2013) (54)
- Application of Gradient-Corrected Density Functional Theory to the Structures and Thermochemistries of $\mbox{ScF}_3$, $\mbox{TiF}_4$, $\mbox{VF}_5$, and $\mbox{CrF}_6$ (1995) (54)
- Molecular and electronic structure of platinum bis(N-arylamino)phosphenium complexes including [Pt(phosphane)(phosphenium)(N-heterocyclic carbene)]. (2004) (53)
- Localized holes in superconducting lanthanum cuprate (1998) (53)
- Density functional investigations of the properties and thermochemistry of UFn and UCln (n=1,...,6). (2004) (52)
- Microscopic model of carbon monoxide binding to myoglobin (2000) (49)
- Optical band gap of NpO2 and PuO2 from optical absorbance of epitaxial films (2013) (49)
- Mott transition of MnO under pressure: A comparison of correlated band theories (2006) (48)
- Functional group dependence of the acid catalyzed ring opening of biomass derived furan rings: an experimental and theoretical study (2013) (46)
- A Screened Hybrid DFT Study of Actinide Oxides, Nitrides, and Carbides (2013) (45)
- Ab initio theory of the polarizability and polarizability derivatives in H2S (1979) (43)
- Role of Geometric Distortion and Polarization in Localizing Electronic Excitations in Conjugated Polymers. (2013) (43)
- High quality epitaxial thin films of actinide oxides, carbides, and nitrides: Advancing understanding of electronic structure of f-element materials (2014) (42)
- DFT Study of Tris(bis(trimethylsilyl)methyl)lanthanum and -samarium (2002) (42)
- Ab initio study of the magnetic interactions in the spin-ladder compound SrCu 2 O 3 (1999) (42)
- Covalency trends in group IV metallocene dichlorides. chlorine K-edge X-ray absorption spectroscopy and time dependent-density functional theory. (2008) (41)
- Screened hybrid and DFT + U studies of the structural, electronic, and optical properties of U3O8 (2013) (39)
- Carbon K-edge X-ray absorption spectroscopy and time-dependent density functional theory examination of metal-carbon bonding in metallocene dichlorides. (2013) (39)
- Excitons and Peierls distortion in conjugated carbon nanotubes. (2007) (39)
- Halogen atomic and diatomic1shole states (1977) (38)
- Unlinked cluster and relativistic contributions to the bonding in Cu2 (1985) (37)
- Correlation states in the valence XPS spectrum of ethylene (1977) (36)
- Evaluation of nitrogen-rich macrocyclic ligands for the chelation of therapeutic bismuth radioisotopes. (2015) (34)
- Diabatic-state treatment of negative-meson moderation and capture. II. Mixtures of hydrogen and helium (1983) (34)
- Theoretical studies of chemisorbed oxygen on Ag(110) (1983) (34)
- On relativistic contributions to the bonding in Cu2 (1983) (34)
- The x‐ray photoelectron spectrum of atomic sodium (1978) (33)
- Electron correlation in the nickel atom (1980) (33)
- Excitation transfer processes in a phosphor-doped poly(p-phenylene vinylene) light-emitting diode (2002) (32)
- On correlation treatments of the nickel atom (1985) (32)
- Solvation Free Energy Calculations Using a Continuum Dielectric Model for the Solvent and Gradient-Corrected Density Functional Theory for the Solute (1996) (32)
- Exciton localization in a Pt-acetylide complex. (2005) (32)
- Diabatic-state treatment of negative-meson moderation and capture. I. The hydrogen atom (1981) (32)
- Systematic studies of early actinide complexes: thorium(IV) fluoroketimides. (2007) (31)
- Investigation of the role of triplet states in the Wulf bands of ozone (1995) (30)
- Localized excitations in pyrazine and p‐benzoquinone. A valence bond model (1981) (29)
- Experimental and theoretical comparison of the O K-edge nonresonant inelastic X-ray scattering and X-ray absorption spectra of NaReO4. (2010) (29)
- Systematic study of modifications to ruthenium(II) polypyridine dyads for electron injection enhancement. (2010) (29)
- All-Electron Hybrid Density Functional Calculations on UFn and UCln (n = 1-6). (2005) (28)
- Oxidation and hydration of U3O8 materials following controlled exposure to temperature and humidity. (2015) (28)
- Rydberg states of H3 (1979) (27)
- Planes and chains: A novel excitonic mechanism for high temperature superconductivity (1988) (26)
- Theoretical Studies of the sp2 versus sp3 C−H Bond Activation Chemistry of 2-Picoline by (C5Me5)2An(CH3)2 Complexes (An = Th, U) (2008) (26)
- Excitation and ionization accompanying the beta decay of T2 (1985) (26)
- Electron localization in the ground state of the ruthenium blue dimer. (2007) (25)
- A theoretical study of the isovalent diatomics carbon dimer, silicon dimer, and silicon monocarbide (1986) (24)
- Spin–orbit coupling in actinide cations (2012) (24)
- Effect of intramolecular disorder and intermolecular electronic interactions on the electronic structure of poly-p-phenylene vinylene (2007) (24)
- Cluster studies of La2CuO4: A mapping onto the Pariser–Parr–Pople (PPP) model (1993) (24)
- Electronic structure, excited states, and photoelectron spectra of uranium, thorium, and zirconium bis(Ketimido) complexes (C5R5)2M[-NCPh2]2 (M = Th, U, Zr; R = H, CH3). (2005) (24)
- Electronic structure and O K-edge XAS spectroscopy of U3O8 (2014) (24)
- Theoretical investigation of uranyl dihydroxide: oxo ligand exchange, water catalysis, and vibrational spectra. (2005) (24)
- Modeling Methane Adsorption in Interpenetrating Porous Polymer Networks (2013) (24)
- Localized excitations and the geometry of the n.pi.* excited states of pyrazine (1982) (23)
- How far can a rubber molecule stretch before breaking? Ab initio study of tensile elasticity and failure in single-molecule polyisoprene and polybutadiene. (2009) (23)
- Origins of the Regioselectivity in the Lutetium Triflate Catalyzed Ketalization of Acetone with Glycerol: A DFT Study (2015) (23)
- Photoexcited carrier relaxation dynamics in pentacene probed by ultrafast optical spectroscopy: Influence of morphology on relaxation processes (2009) (22)
- Multireference many‐body perturbation theory: Application to O2 potential energy surfaces (1983) (22)
- ESR matrix isolation investigation of the aluminum hydride radical cation−AlH+ (1979) (21)
- AgH, Ag2, and AgO revisited: Basis set extensions (1987) (20)
- CEO/semiempirical calculations of UV–visible spectra in conjugated molecules (2000) (20)
- On Pair Functions for Strong Correlations. (2013) (20)
- The Hydration Number of Li+ in Liquid Water (2000) (18)
- The duality of electron localization and covalency in lanthanide and actinide metallocenes† (2020) (18)
- Effect of trans‐ and cis‐isomeric defects on the localization of the charged excitations in π‐conjugated organic polymers (2013) (17)
- Nature of bonding in complexes containing "supershort" metal-metal bonds. raman and theoretical study of M2(dmp)4 [M = Cr (natural abundance Cr, 50Cr, and 54Cr) and Mo; dmp = 2,6-dimethoxyphenyl]. (2010) (16)
- Effect of Packing on Formation of Deep Carrier Traps in Amorphous Conjugated Polymers. (2013) (15)
- Synthesis of a New Class of N-Linked Lewis and LacNAc Analogues as Potential Inhibitors of Human Fucosyltransferases: A General Method for the Incorporation of an Iminocyclitol as a Transition-State Mimetic of the Donor Sugar to the Acceptor (1998) (14)
- Ligand substituent effect observed for ytterbocene 4'-cyano-2,2':6',2' '-terpyridine. (2005) (14)
- A theoretical study of the reaction H + HS → H2 + S (1983) (14)
- A comparison of hybrid density functional theory with photoemission of surface oxides of δ-plutonium (2006) (14)
- Probing Ni[S2PR2]2 electronic structure to generate insight relevant to minor actinide extraction chemistry. (2012) (14)
- Collective electronic oscillator/semiempirical calculations of static nonlinear polarizabilities in conjugated molecules (2001) (13)
- Ab initio electronic structure theory for a cluster model of La2–xSrxCuO4 (1988) (13)
- Satellite structure in the 5p and 5s x-ray-photoelectron spectra of the actinides (1981) (13)
- Luminescence in Ce(IV) polyoxometalate [Ce(W5O18)2]8-: a combined experimental and theoretical study. (2010) (13)
- Preparation of Epitaxial Uranium Dicarbide Thin Films by Polymer-Assisted Deposition (2013) (13)
- Interaction Matrix Elements for Resonant Muonic-Molecule Formation (1984) (13)
- Rotational rehybridization and the high temperature phase of UC2. (2012) (13)
- Chemi-ionization of mercury atoms: Potential curves and estimates of the total ionization cross sections (2002) (12)
- On the existence of photoexcited breathers in conducting polymers (2004) (12)
- High-spin diimine complexes of iron(II) reject binding of carbon monoxide: theoretical analysis of thermodynamic factors inhibiting or favoring spin-crossover. (2005) (12)
- Vibrational frequencies of transition metal chloride and oxo compounds using effective core potential analytic second derivatives (1995) (12)
- Using solution- and solid-state S K-edge X-ray absorption spectroscopy with density functional theory to evaluate M-S bonding for MS4(2-) (M = Cr, Mo, W) dianions. (2014) (12)
- Control of electronic and magnetic coupling via bridging ligand geometry in a bimetallic ytterbocene complex. (2007) (11)
- Synthesis and characterization of nitrogen-rich macrocyclic ligands and an investigation of their coordination chemistry with lanthanum(III). (2015) (11)
- Effects of peripheral and axial substitutions on electronic transitions of tin naphthalocyanines. (2011) (10)
- The geometry of the n.pi.* states of p-benzoquinone. A comparison of valence-bond and configuration-interaction descriptions (1982) (10)
- Circularly polarized photoluminescence from platinum porphyrins in organic hosts: Magnetic field and temperature dependence (2011) (10)
- Quantum chemistry and molecular dynamics studies of the entropic elasticity of localized molecular kinks in polyisoprene chains. (2010) (10)
- Enhancement of optical nonlinearity due to breathers in finite polyenes (1998) (9)
- Cluster studies of La2CuO4: CuO6 (1993) (9)
- Graphane nanotubes. (2012) (9)
- Pu Electronic Structure and Photoelectron Spectroscopy (2011) (8)
- Theoretical studies of H2 desorption processes in chemical vapor deposition of boron-doped silicon surfaces (1999) (8)
- Influence of Ligand Geometry in Bimetallic Ytterbocene Complexes of Bridging Bis(bipyridyl) Ligands (2007) (8)
- Localized spin orbital view of Fermi contact coupling of geminal nuclear spins (1973) (7)
- Investigation of thorium salts as candidate materials for direct observation of the (229m)Th nuclear transition. (2014) (7)
- An L2 calculation of the 1s and 2s photoionization cross sections of Ne (1979) (7)
- Bifunctional Lewis Acid Reactivity of Diol‐Derived Diboron Reagents (2002) (7)
- Reaction field spectral shifts with semiempirical molecular orbital theory (1997) (7)
- Compression of Molecular Interaction Fields Using Wavelet Thumbnails: Application to Molecular Alignment (2012) (7)
- Hydrogen Exchange between Hydride and Methyl Ligands in [Cp*Os(dmpm)(CH3)H+] (1999) (7)
- Geometry Relaxation of Photoexcited States in Conjugated Molecules (2002) (7)
- Theoretical Study of Stable trans and cis Isomers in [UO2(OH)4]2- Using Relativistic Density Functional Theory. (1998) (6)
- Synthesis and reactivity of the hydrido- and alkylrhenium methylidene complexes Cp*(PMe3)2(R)Re=CH2 (R = H, CH3). (2004) (6)
- The remarkable structure and dynamics of tris(allyl)rhodium and -iridium as determined by theory and experiment (2002) (6)
- Computational Studies of Actinide Chemistry (2000) (5)
- Density functional calculations on actinide compounds: Survey of recent progress and application to [UO2X4]2- (X=F, Cl, OH) and AnF6 (An=U, Np, Pu) (1999) (5)
- An ab initio cluster calculation of the photoemission spectrum and optical gap in La2CuO4 (1990) (5)
- Theoretical studies of the structures and electronic properties of U(NH2)3 and Np(NH2)3 (1994) (5)
- 5f Electronic Structure and Fermiology of Pu Materials (2010) (5)
- A theoretical study of bond energies in model Si–H–Cl molecules using density functional approaches for representing Si surface chemistry (1997) (5)
- Transition moment closure tests for ethylene (1978) (5)
- Wavelet Approximation of GRID Fields: Application to Quantitative Structure‐Activity Relationships (2010) (4)
- Three-pulse photon-echo spectroscopy as a probe of the photoexcited electronic state manifold in coupled electron-phonon systems (2004) (4)
- Predication of screened hybrid functional on transition metal monoxides: From Mott insulator to charge transfer insulator (2019) (3)
- A MODIFICATION OF THE LANGHOFF IMAGING TECHNIQUE (1979) (3)
- Oxidation State of 229 Th Recoils Implanted into MgF 2 Crystals (2018) (3)
- Computational Studies of Bonding and Reactivity in Actinide Molecular Complexes (2015) (2)
- Interplay of metal-allyl and metal-metal bonding in dimolybdenum allyl complexes. (2009) (2)
- Computational Chemistry for Nuclear Waste Characterization and Processing: Relativistic Quantum Chemistry of Actinides (2002) (2)
- Theoretical Investigations of Uranyl—Ligand Bonding: Four- and Five-Coordinate Uranyl Cyanide, Isocyanide, Carbonyl, and Hydroxide Complexes (2005) (2)
- ESR Matrix Isolation of AlH+ Formed During the High Temperature Vaporization of Al2O3 (1978) (1)
- EXCITONIC SUPERCONDUCTIVITY IN COPPER OXIDES (1988) (1)
- Core-level spectroscopies of actinides special issue of JESRP (2014) (1)
- Cluster Studies of La 2 CuO 4 Geometric Distortions Accompanying Doping (2002) (1)
- Influence of Phase Stability on Radiation Damage Properties: Plutonium-Gallium Alloys (2007) (1)
- Los Alamos free atomic tritium beta decay experiment (1984) (0)
- Theoretical studies of actinyl crown ether inclusion complexes (2001) (0)
- Excited State Processes in Electronic and Bio Nano-Materials (2007) (0)
- Electronic Structure of Actinide Materials (2008) (0)
- Symposium on The Chemistry and Physics of the Heavy Elements June 20 – 22 , 2012 Wednesday , June 20 8 : 45 – (2012) (0)
- Chemi-ionization of excited mercury (1998) (0)
- A Numerical Study of the Role of Interfacial Heat Transfer in Forced Convection Ice Melting Modeling (2007) (0)
- A THEORETICAL STUDY OF ELECTRONIC SYMMETRY BREAKING AND GEOMETRY DISTORTION IN THE $^{1}B_{3u}$ AND $^{1}B_{2g} n\pi^{*}$ STATE OF PYRAZINE (1980) (0)
- 5f band dispersion in epitaxial films of UO2 (2009) (0)
- '-iii-THEORY OF THE NEON ls CORRELATION PEAK INTENSITIES (2013) (0)
- Syddansk Universitet Spin–orbit coupling in actinide cations (2012) (0)
- New approaches for quantum chemical calculations on very large molecules (1996) (0)
- Luminescence in CeIV polyoxometalate [ Ce ( W 5 O 18 ) 2 ] 8 : a combined experimental and theoretical study w (2010) (0)
- Covalency trends in MCl62: a Cl K-edge study of metal-ligand bonding (2011) (0)
- A LOCALIZED SPIN ORBITAL VIEW OF FERMI CONTACT COUPLING OF GEMINAL NUCLEAR SPINS (1974) (0)
- Highlights of computational work in IC computers (2013) (0)
- LOCALIZED EXCITATIONS AND THE GEOMETRY OF THE NΠ* EXCITED STATES OF PYRAZINE (1982) (0)
- Mechanism of Internal Proton Transfer Reactions in Proteins (2009) (0)
- 81 18 v 1 1 1 A ug 1 99 8 Ab Initio Quantum Chemistry using the Density Matrix Renormalization Group (2008) (0)
- Electronic Structure and Bonding of Minor Actinide Sulfur-Donor Extractants (2014) (0)
- A novel excitonic mechanism for superconductivity (1988) (0)
- Molecular spectroscopy of actinide-ketimido complexes (2004) (0)
- The localization / delocalization dilemma in the electronic structure of d- and f- element oxides (2011) (0)
- Concepts of fragment hardness and ionicity in atomistic models of materials (2012) (0)
- Modeling Material Defects with the Fragment Hamiltonian Approach (2012) (0)
- Quantifying Orbital Mixing In Actinide-Oxygen & Carbon Bonds With Ligand K-edge X-ray Absorption Spectroscopy (2012) (0)
- EXCITATIONS FROM THE NONBONDING ORBITALS IN SYM-TETRAZINE (1979) (0)
- Surface science lettersTheoretical studies of chemisorbed oxygen on Ag(110) (1983) (0)
- Quantum Chemistry using the Density Matrix Renormalization Group (1998) (0)
- Hybrid density functional study of Mott transition in MnO (2007) (0)
- Formation and dynamics of photoexcited breathers in conjugated polymers (2004) (0)
- Modeling nickel surfaces and grain boundaries with the fragment Hamiltonian model (2012) (0)
- Actinide science the Richard G. Haire way : Inspiring, innovative, energetic, and sleeves-up (2013) (0)
- Molecular electronic structure approaches to finite assemblies as models for platinum-halogen and other one-dimensional M-X chain compounds (1991) (0)
- Development Of An Instructor Station For Electrical Engineering Laboratories (2000) (0)
- EXCITATIONS FROM THE NONBONDING ORBITALS IN PARABENZOQUINONE (1979) (0)
- Polarization-induced pairing - An excitonic mechanism for high-temperature superconductivity (1988) (0)
- Theoretical Investigation of Uranyl Dihydroxide: Oxo Ligand Exchange, Water Catalysis, and Vibrational Spectra (2005) (0)
- Systematic Study of Modifications to Ru ( II )-polypyridine Dyads for Electron Injection Enhancement (2010) (0)
- Atomic interactions between plutonium and helium. (2002) (0)
- MANY-ELECTRON EFFECTS IN PHOTOELECTRON SPECTROSCOPY (1976) (0)
- A novel excitonic mechanism for high temperature superconductivity (1989) (0)
- Status of the Los Alamos free atomic tritium beta-decay experiment (1984) (0)
- Photoexcitation dynamics in polyconjugated molecules (2004) (0)
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