Modeling Electron Transfer in Biochemistry: A Quantum Chemical Study of Charge Separation in Rhodobacter sphaeroides and Photosystem II

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

1988 • 93,162 citations

Density-functional exchange-energy approximation with correct asymptotic behavior

1988 • 50,231 citations

Accurate and simple analytic representation of the electron-gas correlation energy

1992 • 23,635 citations

Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields

1994 • 20,515 citations

Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis

1980 • 19,673 citations

Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals

1985 • 14,719 citations

Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects

1981 • 8,267 citations

Electric Moments of Molecules in Liquids

1936 • 5,172 citations

Structure of the protein subunits in the photosynthetic reaction centre of Rhodopseudomonas viridis at 3Å resolution

1985 • 3,049 citations

Volumen und Hydratationswärme der Ionen

1920 • 2,234 citations

Theory of Solutions of Molecules Containing Widely Separated Charges with Special Application to Zwitterions

1934 • 1,491 citations

Oxygenic Photosynthesis: The Light Reactions

1996 • 1,310 citations

Energy transfer and trapping in photosynthesis

1994 • 1,023 citations

Solvent effects. 1. The mediation of electrostatic effects by solvents

1991 • 957 citations

Structure of the photosynthetic reaction centre from Rhodobacter sphaeroides at 2.65 å resolution: cofactors and protein-cofactor interactions

1994 • 780 citations

Light-Induced Structural Changes in Photosynthetic Reaction Center: Implications for Mechanism of Electron-Proton Transfer

1997 • 723 citations

Optimized δ expansion for relativistic nuclear models

1998 • 652 citations

A Metalloradical Mechanism for the Generation of Oxygen from Water in Photosynthesis

1997 • 536 citations

Self-consistent reaction field theory of solvent effects

1975 • 528 citations

Oxygen Production in Nature: A Light-Driven Metalloradical Enzyme Process

1998 • 400 citations

Tyrosine radicals are involved in the photosynthetic oxygen-evolving system.

1987 • 377 citations

Amides. 3. Experimental and Theoretical Studies of the Effect of the Medium on the Rotational Barriers for N,N-Dimethylformamide and N,N-Dimethylacetamide

1995 • 309 citations

A theoretical examination of the electronic structure and spectroscopy of the photosynthetic reaction center from Rhodopseudomonas viridis

1991 • 309 citations

Dielectric Asymmetry in the Photosynthetic Reaction Center

1994 • 274 citations

Water oxidation in photosystem II: from radical chemistry to multielectron chemistry

1989 • 263 citations

Spin-Density Distribution, Conformation, and Hydrogen Bonding of the Redox-Active Tyrosine YZ in Photosystem II from Multiple-Electron Magnetic-Resonance Spectroscopies: Implications for Photosynthetic Oxygen Evolution

1995 • 253 citations

Nanosecond fluorescence from isolated photosynthetic reaction centers of Rhodopseudomonas sphaeroides

1984 • 252 citations

A multimer model for P680, the primary electron donor of photosystem II.

1995 • 242 citations

Diabatic surfaces and the pathway for primary electron transfer in a photosynthetic reaction center

1993 • 237 citations

Spectroscopic properties of photosynthetic reaction centers. 1. Theory

1987 • 234 citations

Dispersed Polaron Simulations of Electron Transfer in Photosynthetic Reaction Centers

1989 • 220 citations

Electrostatic Potentials inRhodopseudomonas viridisReaction Centers: Implications for the Driving Force and Directionality of Electron Transfer

1996 • 204 citations

Structure, Dynamics, and Energy Conversion Efficiency in Photosystem II

1996 • 199 citations

Proximity of the manganese cluster of photosystem II to the redox-active tyrosine YZ.

1995 • 199 citations

Polarisabilites mol�culaires et effet di�lectrique de milieu � l'�tat liquide. �tude th�orique de la mol�cule d'eau et de ses dim�res

1973 • 193 citations

A Model for the Photosystem II Reaction Center Core Including the Structure of the Primary Donor P₆₈₀^,

1996 • 174 citations

Amino Acid Residues That Influence the Binding of Manganese or Calcium to Photosystem II. 1. The Lumenal Interhelical Domains of the D1 Polypeptide

1995 • 168 citations

Ab initio SCF calculations on electrostatically solvated molecules using a deformable three axes ellipsoidal cavity

1983 • 166 citations

Simulating the dynamics of the primary charge separation process in bacterial photosynthesis

1988 • 159 citations

Two-dimensional structure of plant photosystem II at 8-Å resolution

1997 • 153 citations

Influence of an amino-acid residue on the optical properties and electron transfer dynamics of a photosynthetic reaction centre complex

1988 • 152 citations

Femtosecond spontaneous-emission studies of reaction centers from photosynthetic bacteria.

1992 • 138 citations

Substituent Effects on Valence Ionization Potentials of Free Base Porphyrins: A Local Density Functional Study

1995 • 130 citations

A Quantum Chemical Study of Hydrogen Abstraction from Manganese-Coordinated Water by a Tyrosyl Radical: A Model for Water Oxidation in Photosystem II

1997 • 112 citations

Liquid-State Quantum Chemistry: An Improved Cavity Model

1994 • 108 citations

The photosynthetic reaction center

1994 • 99 citations

Path Integral Simulation of Charge Transfer Dynamics in Photosynthetic Reaction Centers

1997 • 87 citations

How close is the analogy between the reaction centre of Photosystem II and that of purple bacteria?

1986 • 84 citations

Thermodynamic Viability of Hydrogen Atom Transfer from Water Coordinated to the Oxygen-Evolving Complex of Photosystem II

1997 • 80 citations

Analysis of water-oxidation mutants constructed in the cyanobacterium Synechocystis sp. PCC 6803

1994 • 67 citations

Electronic and Magnetic Properties of Neutral and Charged Quinone and Plastoquinone Radicals

1997 • 54 citations

Proton transport in water modeled by a quantum chemical dielectric cavity model

1988 • 47 citations

Primary Processes and Structure of the Photosystem II Reaction Center. 3. Kinetic Analysis of Picosecond Energy Transfer and Charge Separation Processes in the D1−D2−cyt-b559 Complex Measured by Time-Resolved Fluorescence

1996 • 39 citations

Long-range electron transfer within the hexamer of the photosynthetic reaction center Rhodopseudomonas viridis

1989 • 38 citations

Ab Initio Electronic Structure Calculation of the Redox Potentials of Bacteriochlorophyll and Bacteriopheophytin in Solution

1995 • 35 citations

Structure and Function in the Isolated Reaction Center Complex of Photosystem II. 1. Ultrafast Fluorescence Measurements of PSII

1997 • 17 citations

Macroscopic and Microscopic Estimates of the Energetics of Charge Separation in Bacterial Reaction Centers

1996 • 11 citations