David Beratan
#47,007
Most Influential Person Now
American chemist and physicist
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Chemistry Physics
David Beratan's Degrees
- PhD Chemistry University of California, Berkeley
- Bachelors Chemistry University of California, Berkeley
Why Is David Beratan Influential?
(Suggest an Edit or Addition)According to Wikipedia, David Nathan Beratan is an American chemist and physicist, the R.J. Reynolds Professor of Chemistry at Duke University. He has secondary appointments in the departments of Physics and Biochemistry. He is the director of the Center for Synthesizing Quantum Coherence, a NSF Phase I Center for Chemical Innovation.
David Beratan'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
- NCIPLOT: a program for plotting non-covalent interaction regions. (2011) (2236)
- Approaches for Optimizing the First Electronic Hyperpolarizability of Conjugated Organic Molecules (1991) (591)
- Protein electron transfer rates set by the bridging secondary and tertiary structure. (1991) (533)
- Biochemistry and Theory of Proton-Coupled Electron Transfer (2014) (342)
- Pathway analysis of protein electron-transfer reactions. (1992) (268)
- Electron tunneling through covalent and noncovalent pathways in proteins (1987) (239)
- The Nature of Aqueous Tunneling Pathways Between Electron-Transfer Proteins (2005) (215)
- Long-Range Charge Transfer in DNA II (2004) (214)
- Stochastic voyages into uncharted chemical space produce a representative library of all possible drug-like compounds. (2013) (201)
- Acetylenyl-Linked, Porphyrin-Bridged, Donor−Acceptor Molecules: A Theoretical Analysis of the Molecular First Hyperpolarizability in Highly Conjugated Push−Pull Chromophore Structures (1996) (178)
- Fluctuations in biological and bioinspired electron-transfer reactions. (2010) (176)
- Electron tunneling pathways in ruthenated proteins (1990) (163)
- Coupling Coherence Distinguishes Structure Sensitivity in Protein Electron Transfer (2007) (150)
- Calculation of tunneling matrix elements in rigid systems: mixed-valence dithiaspirocyclobutane molecules (1984) (148)
- A predictive theoretical model for electron tunneling pathways in proteins (1990) (145)
- Some aspects of electron-transfer reaction dynamics (1986) (143)
- Protein dynamics and electron transfer: electronic decoherence and non-Condon effects. (2005) (137)
- Biological charge transfer via flickering resonance (2014) (130)
- Steering electrons on moving pathways. (2009) (130)
- Physical constraints on charge transport through bacterial nanowires. (2012) (129)
- Designing molecules by optimizing potentials. (2006) (129)
- Charge Transfer in Dynamical Biosystems, or The Treachery of (Static) Images (2014) (127)
- DNA Is Not a Molecular Wire: Protein-like Electron-Transfer Predicted for an Extended π-Electron System (1996) (120)
- Donor-bridge-acceptor energetics determine the distance dependence of electron tunneling in DNA (2002) (116)
- Theory and Practice of Electron Transfer within Proteinminus signProtein Complexes: Application to the Multidomain Binding of Cytochrome c by Cytochrome c Peroxidase. (1996) (111)
- Theories of Structure–Function Relationships for Bridge‐Mediated Electron Transfer Reactions (2007) (108)
- DNA: Insulator or wire? (1997) (108)
- Mapping electron tunneling pathways: an algorithm that finds the "minimum length"/maximum coupling pathway between electron donors and acceptors in proteins (1992) (103)
- The chiroptical signature of achiral metal clusters induced by dissymmetric adsorbates. (2006) (101)
- Nucleic Acid Charge Transfer: Black, White and Gray. (2011) (100)
- Contribution of a solute's chiral solvent imprint to optical rotation. (2007) (100)
- Protein electron transport: single versus multiple pathways (1993) (100)
- Atomic contributions to the optical rotation angle as a quantitative probe of molecular chirality. (1998) (99)
- Electronic shift register memory based on molecular electron-transfer reactions (1989) (98)
- A donor-nanotube paradigm for nonlinear optical materials. (2008) (95)
- PNA versus DNA: effects of structural fluctuations on electronic structure and hole-transport mechanisms. (2008) (92)
- Theory-Assisted Determination of Absolute Stereochemistry for Complex Natural Products via Computation of Molar Rotation Angles (1998) (92)
- Tunneling pathway and redox-state-dependent electronic couplings at nearly fixed distance in electron transfer proteins (1992) (89)
- Localized orbitals and the Fermi hole (1982) (89)
- Optimizing single-molecule conductivity of conjugated organic oligomers with carbodithioate linkers. (2010) (87)
- Molecular design of porphyrin-based nonlinear optical materials. (2008) (86)
- Electron transfer mechanisms. (1998) (85)
- Bridge-mediated electronic interactions: Differences between Hamiltonian and Green function partitioning in a non-orthogonal basis (1996) (84)
- Solvent effect on optical rotation: A case study of methyloxirane in water. (2006) (82)
- Modulating unimolecular charge transfer by exciting bridge vibrations. (2009) (82)
- Tunneling energy effects on GC oxidation in DNA (2002) (81)
- De novo design of a hyperstable non-natural protein-ligand complex with sub-Å accuracy. (2017) (79)
- The Nature of Tunneling Pathway and Average Packing Density Models for Protein-Mediated Electron Transfer† (2002) (78)
- Exploring biological electron transfer pathway dynamics with the Pathways Plugin for VMD (2012) (74)
- Ab initio based effective Hamiltonians for long‐range electron transfer: Hartree–Fock analysis (1996) (74)
- Dynamic docking and electron transfer between Zn-myoglobin and cytochrome b(5). (2002) (73)
- Nonlinear susceptibilities of finite conjugated organic polymers (1987) (71)
- Structure-function relationships for .beta., the first molecular hyperpolarizability (1993) (70)
- Linking ligand-induced alterations in androgen receptor structure to differential gene expression: a first step in the rational design of selective androgen receptor modulators. (2006) (70)
- Optical Rotation Computation, Total Synthesis, and Stereochemistry Assignment of the Marine Natural Product Pitiamide A (2000) (70)
- Dexter energy transfer pathways (2016) (70)
- Persistence of structure over fluctuations in biological electron-transfer reactions. (2008) (70)
- Strategy To Discover Diverse Optimal Molecules in the Small Molecule Universe (2015) (69)
- Molecular bridge effects on distant charge tunneling (1987) (68)
- Electron tunneling pathways in proteins : a method to compute tunneling matrix elements in very large systems (1991) (67)
- The single-molecule conductance and electrochemical electron-transfer rate are related by a power law. (2013) (66)
- Two-photon absorption properties of proquinoidal D-A-D and A-D-A quadrupolar chromophores. (2011) (66)
- Hole size and energetics in double helical DNA: Competition between quantum delocalization and solvation localization (2002) (66)
- Energy Transduction in Nitrogenase. (2018) (65)
- Binding and Electron Transfer between Putidaredoxin and Cytochrome P450cam. Theory and Experiments (1998) (63)
- DNA electron transfer processes: Some theoretical notions (2004) (62)
- Ab initio based calculations of electron-transfer rates in metalloproteins. (2005) (61)
- Optical signatures of molecular dissymmetry: combining theory with experiments to address stereochemical puzzles. (2009) (61)
- USE OF MODERN ELECTRON TRANSFER THEORIES TO DETERMINE ELECTRONIC COUPLING MATRIX ELEMENTS IN INTRAMOLECULAR SYSTEMS (1998) (60)
- Why Are DNA and Protein Electron Transfer So Different? (2019) (60)
- Dynamic docking and electron-transfer between cytochrome b5 and a suite of myoglobin surface-charge mutants. Introduction of a functional-docking algorithm for protein-protein complexes. (2004) (59)
- Chirality Control of Electron Transfer in Quantum Dot Assemblies. (2017) (59)
- Photoselected electron transfer pathways in DNA photolyase (2007) (58)
- Electron Tunneling Through Rigid Molecular Bridges: Bicyclo[2.2.2]octane (1986) (57)
- Limiting forms of the tunneling matrix element in the long distance bridge mediated electron transfer problem (1985) (53)
- Structural and Conformational Dependence of Optical Rotation Angles (1999) (53)
- Inverse Strategies for Molecular Design (1996) (53)
- Inelastic Electron Tunneling Erases Coupling-Pathway Interferences (2004) (52)
- Engineering nanometre-scale coherence in soft matter. (2016) (52)
- Triplet Excitation Energy Dynamics in Metal–Organic Frameworks (2013) (52)
- Electron transfer in DNA: Predictions of exponential growth and decay of coupling with donor-acceptor distance (1993) (52)
- Optical rotation of noncovalent aggregates. (2003) (52)
- The two-state reduction for electron and hole transfer in bridge-mediated electron-transfer reactions (1993) (51)
- Failure of the Born–Oppenheimer and Franck–Condon approximations for long distance electron transfer rate calculations (1984) (51)
- Predicting the Frequency Dispersion of Electronic Hyperpolarizabilities on the Basis of Absorption Data and Thomas−Kuhn Sum Rules (2010) (51)
- Determining absolute configuration in flexible molecules: a case study. (2001) (51)
- Characterizing aqueous solution conformations of a peptide backbone using Raman optical activity computations. (2008) (51)
- Secondary Structure Conformations and Long Range Electronic Interactions in Oligopeptides (1997) (50)
- Generalized Mulliken-Hush analysis of electronic coupling interactions in compressed pi-stacked porphyrin-bridge-quinone systems. (2005) (50)
- Bond-Mediated Electron Tunneling in Ruthenium-Modified High-Potential Iron−Sulfur Protein (2000) (48)
- Designing molecules with optimal properties using the linear combination of atomic potentials approach in an AM1 semiempirical framework. (2007) (48)
- Ligand-Induced Changes in the Characteristic Size-Dependent Electronic Energies of CdSe Nanocrystals (2013) (47)
- A Molecular Shift Register Based on Electron Transfer (1988) (47)
- Turning charge transfer on and off in a molecular interferometer with vibronic pathways. (2009) (46)
- A new era for electron bifurcation. (2018) (45)
- Coarse-grained modeling of allosteric regulation in protein receptors (2009) (45)
- Molecular electronics: observation of molecular rectification. (1993) (44)
- Evidence for a near-resonant charge transfer mechanism for double-stranded peptide nucleic acid. (2011) (43)
- Chiral control of electron transmission through molecules. (2008) (42)
- A gradient-directed Monte Carlo approach to molecular design. (2008) (42)
- Role of nucleobase energetics and nucleobase interactions in single-stranded peptide nucleic acid charge transfer. (2009) (41)
- Electron Bifurcation: Thermodynamics and Kinetics of Two-Electron Brokering in Biological Redox Chemistry. (2017) (41)
- Solution structure of a peptide nucleic acid duplex from NMR data: features and limitations. (2008) (41)
- New peroxylactones from the Jamaican sponge Plakinastrella onkodes, with inhibitory activity against the AIDS opportunistic parasitic infection Toxoplasma gondii (2001) (41)
- Long‐Range Electron Transfer in Myoblobin a (1988) (41)
- Mean First-Passage Times in Biology. (2016) (41)
- Electron Transfer Contact Maps (1997) (40)
- Breaking the simple proportionality between molecular conductances and charge transfer rates. (2014) (40)
- Electron-tunneling pathways in proteins. (2000) (39)
- Adiabaticity and nonadiabaticity in bimolecular outer‐sphere charge transfer reactions (1988) (39)
- Computational design, synthesis and biological evaluation of para-quinone-based inhibitors for redox regulation of the dual-specificity phosphatase Cdc25B. (2008) (38)
- Pathways, pathway tubes, pathway docking, and propagators in electron transfer proteins (1995) (37)
- Two‐electron transfer reactions in polar solvents (1996) (36)
- Charge Transport across DNA-Based Three-Way Junctions. (2015) (35)
- Inverse molecular design in a tight-binding framework. (2008) (35)
- Design of Coupled Porphyrin Chromophores with Unusually Large Hyperpolarizabilities (2012) (34)
- Charge splitters and charge transport junctions based on guanine quadruplexes (2018) (34)
- Voltage-induced long-range coherent electron transfer through organic molecules (2019) (34)
- Large Hyperpolarizabilities at Telecommunication-Relevant Wavelengths in Donor–Acceptor–Donor Nonlinear Optical Chromophores (2016) (34)
- Exploring chemical space with discrete, gradient, and hybrid optimization methods. (2008) (34)
- Electron tunneling pathways in proteins: influences on the transfer rate (1989) (33)
- DNA-mediated electron transfer (1998) (32)
- Control of electron transfer in nitrogenase. (2018) (32)
- From ATP to Electron Transfer: Electrostatics and Free-Energy Transduction in Nitrogenase (2001) (32)
- Binding of ochratoxin A to human serum albumin stabilized by a protein-ligand ion pair (2003) (31)
- Structural and Electronic Properties of Bare and Capped CdnSen/CdnTen Nanoparticles (n = 6, 9) (2012) (31)
- Effect of backbone flexibility on charge transfer rates in peptide nucleic acid duplexes. (2012) (30)
- Heme–copper oxidases use tunneling pathways (2008) (30)
- Electronic and Magnetic Properties of Chiral Molecules and Supramolecular Architectures (2011) (29)
- High and low resolution theories of protein electron transfer (1997) (28)
- Where Is the Electronic Oscillator Strength? Mapping Oscillator Strength across Molecular Absorption Spectra. (2016) (28)
- Peptide-Based Materials (2012) (28)
- Electron Transfer through Proteins (2005) (27)
- A Chirality-Based Quantum Leap (2020) (27)
- Effects of the Backbone and Chemical Linker on the Molecular Conductance of Nucleic Acid Duplexes. (2017) (27)
- Simulation of electron transfer between cytochrome C2 and the bacterial photosynthetic reaction center: Brownian dynamics analysis of the native proteins and double mutants. (2005) (27)
- Distance-independent charge recombination kinetics in cytochrome c-cytochrome c peroxidase complexes: compensating changes in the electronic coupling and reorganization energies. (2013) (26)
- Assessing Possible Mechanisms of Micrometer-Scale Electron Transfer in Heme-Free Geobacter sulfurreducens Pili. (2019) (26)
- Mapping hole hopping escape routes in proteins (2019) (25)
- Structural and Electronic Properties of Bare and Capped Cd33Se33 and Cd33Te33 Quantum Dots (2014) (25)
- Binding of Warfarin Influences the Acid-Base Equilibrium of H242 in Sudlow Site I of Human Serum Albumin (2006) (25)
- Structural Fluctuations, Spin, Reorganization Energy, and Tunneling Energy Control of Intramolecular Electron Transfer: The Surprising Case of Electron Transfer in a d8−d8 Bimetallic System (1997) (25)
- Theory and Practice of Electron Transfer Within Protein-Protein Complexes: Application to the Multidomain Binding of Cytochrome c by Cytochrome c Peroxidase (1997) (25)
- On the nature of organic and inorganic centers that bifurcate electrons, coupling exergonic and endergonic oxidation-reduction reactions. (2018) (25)
- Defusing redox bombs? (2015) (25)
- Towards Raman optical activity calculations of large molecules. (2005) (24)
- Universal free-energy landscape produces efficient and reversible electron bifurcation (2020) (23)
- Protein phosphorylation and intermolecular electron transfer: a joint experimental and computational study of a hormone biosynthesis pathway. (2007) (23)
- B-DNA to zip-DNA: simulating a DNA transition to a novel structure with enhanced charge-transport characteristics. (2011) (23)
- Synthetic and model computational studies of molar rotation additivity for interacting chiral centers: a reinvestigation of van't Hoff's principle. (1997) (23)
- Adiabaticity criteria for outer-sphere bimolecular electron-transfer reactions (1988) (23)
- Inverse design of molecules with optimal reactivity properties: acidity of 2-naphthol derivatives. (2012) (22)
- Systematic assignment of the configuration of flexible natural products by spectroscopic and computational methods: the bistramide C analysis. (2005) (22)
- Tunneling while Pulling: The Dependence of Tunneling Current on End-to-End Distance in a Flexible Molecule (2004) (22)
- Docking and electron transfer between cytochrome c2 and the photosynthetic reaction center (1995) (22)
- Charge Transfer between [4Fe4S] Proteins and DNA Is Unidirectional: Implications for Biomolecular Signaling. (2019) (22)
- Conformationally Gated Charge Transfer in DNA Three-Way Junctions. (2015) (21)
- Electron transfer in three-center chemical systems (1999) (21)
- Discrete Optimization of Electronic Hyperpolarizabilities in a Chemical Subspace. (2009) (21)
- Assignment of the absolute configuration of [n]-ladderanes by TD-DFT optical rotation calculations. (2005) (20)
- How does protein architecture facilitate the transduction of ATP chemical-bond energy into mechanical work? The cases of nitrogenase and ATP binding-cassette proteins. (2004) (20)
- Photoinduced Electron Transfer Elicits a Change in the Static Dielectric Constant of a de Novo Designed Protein. (2016) (20)
- THREE-STATE MODEL FOR TWO-ELECTRON TRANSFER REACTIONS (1997) (20)
- The degree of charge transfer in ground and charge-separated states revealed by ultrafast visible pump/mid-IR probe spectroscopy. (2004) (20)
- Structure of the ochratoxin A binding site within human serum albumin (2004) (20)
- Electronic coupling in starburst dendrimers: connectivity, disorder, and finite size effects in macromolecular Bethe lattices (1993) (19)
- Interfacial hydration, dynamics and electron transfer: multi-scale ET modeling of the transient [myoglobin, cytochrome b5] complex. (2012) (19)
- Electrostatic control of electron transfer between myoglobin and cytochrome b5: Effect of methylating the heme propionates of Zn-myoglobin [16] (2000) (19)
- Full-electron ligand-to-ligand charge transfer in a compact Re(I) complex. (2014) (17)
- Directing Charge Transfer in Quantum Dot Assemblies. (2018) (17)
- A gradient‐directed Monte Carlo approach for protein design (2010) (17)
- Electronic Structure of Self-Assembled Peptide Nucleic Acid Thin Films (2011) (17)
- Charge and spin transport through nucleic acids (2017) (17)
- DNA charge transport: Moving beyond 1D (2016) (17)
- Steering Electrons on Moving Pathways (2010) (16)
- Electron bifurcation: progress and grand challenges. (2019) (16)
- Electron transfer rate modulation in a compact Re(I) donor-acceptor complex. (2015) (16)
- Temperature Dependence of Charge and Spin Transfer in Azurin (2021) (16)
- Determination of the absolute configuration of 1,3,5,7-tetramethyl-1,3-dihydroindol-2-one by optical rotation computation (1999) (15)
- Floquet analysis for vibronically modulated electron tunneling. (2011) (15)
- Steady-state theory of current transfer (2009) (15)
- Evaluating the extent of intramolecular charge transfer in the excited states of rhenium(I) donor-acceptor complexes with time-resolved vibrational spectroscopy. (2013) (15)
- A gradient-directed Monte Carlo method for global optimization in a discrete space: application to protein sequence design and folding. (2009) (14)
- Sensing of molecules using quantum dynamics (2015) (13)
- Identification of 3-hydroxy-2-(3-hydroxyphenyl)-4H-1-benzopyran-4-ones as isoform-selective PKC-zeta inhibitors and potential therapeutics for psychostimulant abuse. (2009) (13)
- A method to analyze multi-pathway effects on protein mediated donor-acceptor coupling interactions (1996) (13)
- Determinants of Photolyase's DNA Repair Mechanism in Mesophiles and Extremophiles. (2018) (13)
- Electron transfer between cofactors in protein domains linked by a flexible tether (2006) (13)
- Conductance and configuration of molecular gold-water-gold junctions under electric fields. (2020) (13)
- Photosynthesis from the Protein's Perspective (2007) (13)
- Coarse-Grained Theory of Biological Charge Transfer with Spatially and Temporally Correlated Noise. (2016) (12)
- Conformationally averaged score functions for electronic propagation in proteins. (2006) (12)
- Is MD Geometry Sampling Sufficient for Nucleobase Electronic Structure Analysis of ET Reactions? Comparing Classical MD and QM/MM Methods† (2010) (12)
- Fluorous Chemistry (2012) (12)
- Hepatitis C virus NS5B polymerase: QM/MM calculations show the important role of the internal energy in ligand binding. (2008) (12)
- Synthesis and chemical diversity analysis of bicyclo[3.3.1]non-3-en-2-ones. (2010) (11)
- Optical Rotation Computation, Total Synthesis, and Stereochemistry Assignment of the Marine Natural Product Pitiamide A. (2000) (11)
- Effects of S-containing ligands on the structure and electronic properties of CdnSen/CdnTen nanoparticles (n = 3, 4, 6, and 9) (2012) (11)
- Vibrational control of electron-transfer reactions: a feasibility study for the fast coherent transfer regime. (2015) (11)
- DNA charge transfer: Hot holes break the speed limit. (2016) (11)
- Diverse Optimal Molecular Libraries for Organic Light-Emitting Diodes. (2016) (11)
- Emergent strategies for inverse molecular design (2009) (10)
- Controlling the excited-state dynamics of low band gap, near-infrared absorbers via proquinoidal unit electronic structural modulation† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7sc02150j Click here for additional data file. (2017) (10)
- Electron Transfer: From Model Compounds to Proteins (1991) (10)
- Binding and Electron Transfer Between Putidaredoxin and Cytochrome P450cam (CYP101). Theory and Experiments | NIST (1998) (10)
- Improving Solar Cell Performance Using Quantum Dot Triad Charge-Separation Engines (2018) (10)
- DNA DOUBLE-HELIX-MEDIATED LONG-RANGE ELECTRON TRANSFER (1996) (10)
- Coherence in electron transfer pathways. (2011) (10)
- A Molecular Double Slit Paradigm (2008) (9)
- Chiral action at a distance: remote substituent effects on the optical activity of calyculins A and B. (2000) (9)
- Two-Electron Transfer Pathways. (2015) (9)
- Controlling the Electron-Transfer Kinetics of Quantum-Dot Assemblies (2017) (8)
- A single AT-GC exchange can modulate charge transfer-induced p53-DNA dissociation. (2018) (8)
- Quantum interferences among Dexter energy transfer pathways. (2019) (8)
- Electronic Hyperpolarizability and Chemical Structure (1991) (8)
- Exploring the optical activity tensor by anisotropic Rayleigh optical activity scattering. (2008) (8)
- The Nature of Tunnel Splitting Mediated by Stacked Aromatics (2000) (7)
- Unsymmetrical Bis-Alkynyl Complexes Based on Co(III)(cyclam): Synthesis, Ultrafast Charge Separation, and Analysis. (2019) (7)
- The effects of bridge motion on electron transfer reactions mediated by tunneling (2006) (7)
- Enthalpic signature of methonium desolvation revealed in a synthetic host-guest system based on cucurbit[7]uril. (2013) (7)
- Alkaloid Synthesis (2012) (7)
- Engineering opposite electronic polarization of singlet and triplet states increases the yield of high-energy photoproducts (2019) (7)
- Orientational Dependence of Cofacial Porphyrin-Quinone Electronic Interactions within the Strong Coupling Regime. (2019) (7)
- Unimolecular and Supramolecular Electronics II: Chemistry and Physics Meet at Metal-Molecule Interfaces (2012) (6)
- Synthetic Control of Exciton Dynamics in Bioinspired Cofacial Porphyrin Dimers (2022) (6)
- How can infra-red excitation both accelerate and slow charge transfer in the same molecule? (2018) (6)
- Electron transfer characteristics of 2'-deoxy-2'-fluoro-arabinonucleic acid, a nucleic acid with enhanced chemical stability. (2018) (6)
- Revisiting the Hole Size in Double Helical DNA with Localized Orbital Scaling Corrections. (2020) (6)
- Editorial overview: Biological pathways for electrons, protons and photo-excitations. (2018) (5)
- Efficient and reversible electron bifurcation with either normal or inverted potentials at the bifurcating cofactor (2021) (5)
- Oxalate decarboxylase uses electron hole hopping for catalysis (2021) (5)
- Donor—Acceptor Electronic Coupling in Ruthenium-Modified Heme Proteins (1996) (5)
- Single‐ and Multi‐Electron Transfer Processes (2008) (4)
- A Robust Bioderived Wavelength-Specific Photosensor Based on BLUF Proteins. (2020) (4)
- Open-Access, Interactive Explorations for Teaching and Learning Quantum Dynamics (2015) (4)
- Ligand Coverage and Exciton Delocalization Control Chiral Imprinting in Perovskite Nanoplatelets (2022) (4)
- Simulation of scanning tunneling microscope images of 1,3-cyclohexadiene bound to a silicon surface. (2005) (4)
- Flavin Charge Transfer Transitions Assist DNA Photolyase Electron Transfer. (2007) (4)
- Predicting Dexter Energy Transfer Interactions from Molecular Orbital Overlaps (2020) (3)
- Secondary Structure Conformations and Long Range Electronic Interactions in Oligopeptides. (1997) (3)
- Molecular Bridge Effects on Distant Charge Tunneling. (1988) (3)
- Improving the efficiency of open-quantum-system simulations using matrix product states in the interaction picture (2021) (3)
- Correlation between Charge Transport and Base Excision Repair in the MutY-DNA Glycosylase. (2020) (3)
- Mechanism of Side Chain-Controlled Proton Conductivity in Bioinspired Peptidic Nanostructures. (2021) (3)
- Second And Third Order Nonlinear Optical Properties Of Conjugated Molecules And Polymers (1988) (3)
- Charge Transfer and Spin Dynamics in a Zinc Porphyrin Donor Covalently Linked to One or Two Naphthalenediimide Acceptors. (2021) (3)
- Influence of gap states on the nonresonant second hyperpolarizabilities of conjugated organic polymers (1989) (3)
- Electron transfer in the photosynthetic reaction center: mechanistic implications of mutagenesis studies. (1998) (3)
- Optical Activity: From Structure-Function to Structure Prediction (2002) (3)
- Mutation effects on charge transport through the p58c iron–sulfur protein (2020) (2)
- Design of a True Molecular Electronic Device: The Electron Transfer Shift Register Memory (1989) (2)
- Charge transfer through chemisorbed organic molecules – Neutralization of ionization processes at local sites in the molecule (2005) (2)
- Structure/property relationships for molecular second-order nonlinear optics (1991) (2)
- Structure of the Electrical Double Layer in High-Temperature Superconductors. Origin of the Dip in the Double-Layer Capacitance near the Superconducting Transition (1997) (2)
- Delocalization-Assisted Transport through Nucleic Acids in Molecular Junctions. (2021) (2)
- Energy transduction by reversible electron bifurcation (2021) (2)
- Twisted molecular wires polarize spin currents at room temperature (2022) (2)
- Protein-Mediated Electron Transfer: Pathways, Orbital Interactions, and Contact Maps (1998) (2)
- Chiral control of current transfer in molecules. (2011) (2)
- Electrostatic Field-Induced Oscillator Strength Focusing in Molecules. (2020) (2)
- Controlled electron transfer for molecular electronics (1990) (2)
- Why Do Most Aromatics Fail to Support Hole Hopping in the Cytochrome c Peroxidase-Cytochrome c Complex? (2021) (1)
- Photoconductivity and current-voltage characteristics of thin DNA films: experiments and modeling (2009) (1)
- Acknowledgment of Guest Editors, 2019 (2019) (1)
- Multiple hops move electrons from bacteria to rocks (2021) (1)
- Two-Photon Absorption Properties of Proquinoidal DA-D and ADA Quadrupolar Chromophores (2011) (1)
- Correction to “Enthalpic Signature of Methonium Desolvation Revealed in a Synthetic Host–Guest System Based on Cucurbit[7]uril” (2013) (1)
- A Nonequilibrium Molecular Dynamics Study of Infrared Perturbed Electron Transfer. (2018) (1)
- Electron ratcheting in self-assembled soft matter. (2021) (1)
- Molecular Control of Electron Transfer Events Within and Between Biomolecules (2003) (1)
- Symmetry controlled photo-selection and charge separation in butadiyne-bridged donor-bridge-acceptor compounds. (2020) (1)
- Discovery of the Xenon-Protein Interactome Using Large-Scale Measurements of Protein Folding and Stability. (2022) (1)
- Analysis of the unusual wavelength dependence of the first hyperpolarizability of porphyrin derivatives (2010) (1)
- Correction to Effect of Backbone Flexibility on Charge Transfer Rates in Peptide Nucleic Acid Duplexes (2012) (1)
- Electron Transfer: Chemical Roles of Water (2008) (1)
- Structure/property relationships for molecular second‐order nonlinear optics (2008) (1)
- Molecular Electronic Shift Registers (1990) (0)
- Solution Structure of a Peptide Nucleic Acid Duplex, 10 structures (2008) (0)
- Tuning the entanglement growth in matrix-product-state evolution of quantum systems by nonunitary similarity transformations (2022) (0)
- Electron transfer in pentaammineruthenium(III) (a5Ru) derivatives of cytochrtome c peroxidase (1991) (0)
- Correction (2018) (0)
- INOR 570-Coupled-oscillator photophysics and the elaboration of chromophores with exceptional molecular hyperpolarizabilities and 2-photon absorptive cross-sections (2008) (0)
- Kondru , as a Quantitative Probe of Molecular Chirality Atomic Contributions to the Optical Rotation Angle (2010) (0)
- Efficient simulation of open quantum systems coupled to a reservoir through multiple channels (2022) (0)
- Interference between Molecular and Photon Field-Mediated Electron Transfer Coupling Pathways in Cavities. (2022) (0)
- The protein bridge between redox centres (2020) (0)
- Two-Electron Transfer Pathways B (2015) (0)
- Design of a Molecular Memory Device: The Electron Transfer Shift Register Memory (1993) (0)
- Autobiography of David N. Beratan. (2020) (0)
- 2 The Transmission of Polarized Electrons Through Chiral Molecular Layers (2011) (0)
- Optical Signatures of Molecular Dissymmetry: Combining Theory with Experiments to Address Stereochemical Puzzles (2009) (0)
- Controlled Charge-Flow in A Molecular Interferometer (2008) (0)
- PNAS Plus Significance Statements (2015) (0)
- Cofactor Dynamics Couples the Protein Surface to the Heme in Cytochrome c, Facilitating Electron Transfer. (2022) (0)
- Correction to "Evaluating the Extent of Intramolecular Charge Transfer in the Excited States of Rhenium(I) Donor-Acceptor Complexes with Time-Resolved Vibrational Spectroscopy". (2016) (0)
- Tunneling Pathways In Proteins: From Biology To Molecular Electronics (1990) (0)
- Biological free energy transduction is an Achilles heel of mean-field transport theory (2022) (0)
- Electrons tunneling through fluctuating water and proteins (2009) (0)
- Correction: Charge Transfer between [4Fe4S] Proteins and DNA Is Unidirectional: Implications for Biomolecular Signaling. (2019) (0)
- Through Bond and Through Space Limits of the Long Distance Electron Transfer Problem (1987) (0)
- How does thermal motion of atoms influence rates of bridge-mediated electron transfer reactions? 1. Dynamical modulation of the effective tunneling coupling. (2005) (0)
- Zip-DNA: A Novel DNA Structure Formed Under Mechanical Stress (2014) (0)
- Theory of Electron Transfer and Transport Pathways in Biomolecules (2008) (0)
- Regulating Singlet-Triplet Energy Gaps through Substituent-Driven Modulation of the Exchange and Coulomb Interactions. (2022) (0)
- Strategies For The "Molecular Engineering" Of Chemical, Electronic, And Optical Devices (1990) (0)
- Cu-To-Cu Electron Tunneling in Copper Monooxygenases (2014) (0)
- All-Optical Photochromic Spatial Light Modulators (1989) (0)
- Discovery and Utilization of Nanoscale and Mesoscale Enabling Materials and Processes for Optoelectronics and Electronic Interconnects (2003) (0)
- Interprotein electron transfer through aqueous pathways (2005) (0)
- Suppressing the entanglement growth in matrix product state evolution of quantum systems through nonunitary similarity transformations (2022) (0)
- Enhancing The Hyperpolarizabilities Of Finite Polyenes (1992) (0)
- PATHWAYS - ELECTRON TUNNELING PATHWAYS IN PROTEINS (1994) (0)
- Sculpting Molecular Potentials to Design Optimized Materials: The Inverse Design of New Molecular Structures (2010) (0)
- Structural Dependence Of The Pi-Electron Contributions To The Optical Second Hyperpolarizability Of Linear Conjugated Organic Molecules (1989) (0)
- A Priori Design of Optimal Electro-Optic Materials for Laser Eye Protection (2008) (0)
- Ultrasmall memories based on electron transfer reactions (1989) (0)
- Thermal Disorder Effect on the DNA Electronic Structure (2008) (0)
- A landscape for efficient electron bifurcation revealed by a simple kinetics model (2022) (0)
- Correction: Electron transfer rate modulation in a compact Re(i) donor-acceptor complex. (2016) (0)
- Excited-State Dynamics and Nonlinear Optical Properties of Hyperpolarizable Chromophores Based on Conjugated Bis(terpyridyl)Ru(II) and Palladium and Platinum Porphyrinic Components: Impact of Heavy Metals upon Supermolecular Electro-Optic Properties. (2021) (0)
- CCDC 790921: Experimental Crystal Structure Determination (2011) (0)
- Designing macromolecular electron delivery systems for artificial biocatalysis. Final report, 1994--1997 (1997) (0)
- A Chirality-Based Quantum Leap: A Forward-Looking Review (2020) (0)
- Does electron-transfer theory explain large rate differences in singlet and triplet excited state electron-transfer reactions? (1995) (0)
- Correlated particle transport enables biological free energy transduction. (2023) (0)
- From Tunneling Pathways to Essential Biological Function (2019) (0)
- Modeling the Forced Extension of Nicked DNA (2007) (0)
- Quantum Simulation of Polarized Light-induced Electron Transfer with A Trapped-ion Qutrit System (2023) (0)
- The Theory of Long Distance Electron Transfer Reactions (1986) (0)
- Biochemistry. Photosynthesis from the protein's perspective. (2007) (0)
- Adenine Fine-Tunes DNA Photolyase's Repair Mechanism. (2023) (0)
- What is the Anharmonicity of a Molecule's Electronic Wave Function? (1995) (0)
- Correction to Full Electron Ligand-to-Ligand Charge Transfer in a Compact Rhenium(I) Complex. (2016) (0)
- Information storage at the molecular level - The design of a molecular shift register memory (1989) (0)
- Exponential Distance Decay of Electron Transfer Rates without Tunneling: A Flickering Resonance Model for Transport (2014) (0)
- Guest editorial: Electron transfer (2006) (0)
- Photo-induced electron transfer: general discussion. (2019) (0)
- Mapping Simulated Two-Dimensional Spectra to Molecular Models Using Machine Learning. (2022) (0)
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