Dynamical study of nonadiabatic unimolecular reactions: The conical intersection between the B̃ 2B2 and à 2A1 states of H2O+

Molecular Spectra and Molecular Structure

1979 • 15,902 citations

On the Quantum Correction For Thermodynamic Equilibrium

1932 • 8,555 citations

Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First-Row Atoms

1970 • 4,990 citations

Gaussian-Type Functions for Polyatomic Systems. I

1965 • 4,930 citations

Numerical Initial Value Problems in Ordinary Differential Equations

1973 • 4,016 citations

Monte Carlo methods

1964 • 3,128 citations

On the efficiency of certain quasi-random sequences of points in evaluating multi-dimensional integrals

1960 • 1,843 citations

Trajectory Surface Hopping Approach to Nonadiabatic Molecular Collisions: The Reaction of H+ with D2

1971 • 1,567 citations

Splines and Variational Methods.

1991 • 1,157 citations

Dynamics of Molecular Collisions

1976 • 1,149 citations

Diabatic and Adiabatic Representations for Atomic Collision Problems

1969 • 976 citations

Numerical treatment of ordinary differential equations by extrapolation methods

1966 • 827 citations

Quantum corrections to classical photodissociation models

1978 • 647 citations

Bicycle-pedal model for the first step in the vision process

1976 • 527 citations

Wigner phase space method: Analysis for semiclassical applications

1976 • 459 citations

Adiabatic and diabatic representations for atom-molecule collisions: Treatment of the collinear arrangement

1975 • 447 citations

Effects of Surface Crossing in Chemical Reactions: The H3+ System

1971 • 422 citations

Classification of photochemical reactions

1975 • 300 citations

The quartic force field of H2O determined by many-body methods that include quadruple excitation effects

1979 • 259 citations

Computational Methods for Large Molecules and Localized States in Solids

1973 • 225 citations

Studies of the Potential-Curve-Crossing Problem. II. General Theory and a Model for Close Crossings

1972 • 196 citations

Adiabatic and diabatic representations for atom-diatom collisions: Treatment of the three-dimensional case

1976 • 183 citations

Electronic non-adiabatic transitions derivation of the general adiabatic-diabatic transformation matrix

1980 • 167 citations

Quantum Theory of Chemical Reactions

1982 • 166 citations

The exact transition probabilities of quantum-mechanical oscillators calculated by the phase-space method

1949 • 158 citations

Incorporation of electronically nonadiabatic effects into bimolecular reactive systems. I. Theory

1977 • 156 citations

Molecular Trajectory Calculations

1974 • 142 citations

Avoided surface crossings

1975 • 138 citations

Nonadiabatic interaction in unimolecular decay. III. Selection and propensity rules for polyatomic molecules

1977 • 123 citations

Incorporation of electronically nonadiabatic effects into bimolecular reactive systems. II. The collinear (H2 + H+, H2+ + H) system

1977 • 102 citations

Semiclassical trajectory approach to photoisomerization

1975 • 101 citations

A new view of the dynamics of singlet cis-trans photoisomerization

1979 • 99 citations

Nonadiabatic interactions in unimolecular decay. V. Conical and Jahn–Teller intersections

1979 • 97 citations

Préionisation et prédissociation dans la dissociation des molécules triatomiques par impact électronique

1966 • 96 citations

Nonadiabatic molecular collisions: Charge exchange and chemical reaction in the Ar+ + H2 system

1974 • 95 citations

Unimolecular decay paths of electronically excited species. II. The C2H+4 ion

1981 • 91 citations

Nonadiabatic interactions in unimolecular decay. IV. Transition probability as a function of the Massey parameter

1979 • 83 citations

SCF theory for excited states

1974 • 82 citations

Construction of the hamiltonian matrix in large configuration interaction calculations

1973 • 78 citations

A limited basis molecular orbital calculation on H2O and H2O+

1975 • 69 citations

An a b i n i t i o potential-energy surface study of several states of the water cation

1980 • 60 citations

Excited States in Organic Chemistry and Biochemistry

1977 • 55 citations

Excited states of gaseous ions. V. The predissociation of the h2o+ ion

1974 • 54 citations

The origin of the red shift of the absorption spectra of aggregated chlorophylls

1979 • 53 citations

The predissociations of water ions

1975 • 46 citations

Excited states of gaseous ions. IV. Potential energy surfaces of the H2O+ ion

1974 • 44 citations

Selected Topics of the Theory of Chemical Elementary Processes

1978 • 42 citations

A theoretical prediction of vibrational enhancement for dissociative charge transfer in the HeH2+ system

1978 • 41 citations

Basic questions in mass spectrometry

1981 • 38 citations

Theoretical studies of atmospheric molecules: SCF and correlated potential surface results for the X 2B1 and ? 2B2 states of H2O+

1976 • 38 citations

A method to obtain the Eckart hamiltonian and the equations of motion of a highly deformable polyatomic system in tems of generalized coordinates

1981 • 33 citations

Investigation of the 2B2 state of H2O+ using valence-bond techniques

1975 • 31 citations

Theoretical study of the electronic structure of diazomethane

1976 • 27 citations

Dissociation of the ethylene cation: mechanism of energy randomization

1980 • 20 citations

Theoretical chemical dynamics: A tool in organic chemistry

2006 • 15 citations

Electronic and geometric structure of some excited states of H2O+

1976 • 14 citations

Emploi de méthodes classiques pour calculer les sections efficaces d'attachement dissociatif

1972 • 11 citations

Potential energy surfaces and dissociation mechanisms of molecular ions

1980 • 11 citations