Potential energy surfaces for H + Li2 → LiH + Li ground state surface from large scale configuration interaction

Methods of Molecular Quantum Mechanics

1971 • 1,655 citations

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

1971 • 1,567 citations

Diabatic and Adiabatic Representations for Atomic Collision Problems

1969 • 976 citations

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1962 • 691 citations

Electronic Structure of Diatomic Molecules. VI.A. Hartree—Fock Wavefunctions and Energy Quantities for the Ground States of the First-Row Hydrides, AH

1967 • 645 citations

Dissociation energies and spectra of diatomic molecules

1953 • 620 citations

A Method of Diatomics in Molecules. I. General Theory and Application to H₂O

1963 • 567 citations

A new method for large-scale Cl calculations

1972 • 507 citations

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

1971 • 422 citations

Spectroscopic Data Relative to Diatomic Molecules

1970 • 394 citations

Superposition of Configurations and Natural Spin Orbitals. Applications to the He Problem

1959 • 305 citations

The Mechanism of Reactions Involving Excited Electronic States The Gaseous Reactions of the Alkali Metals and Halogens

1940 • 244 citations

The electronic structure of atoms and molecules : a survey of rigorous quantum mechanical results

1972 • 224 citations

Critical evaluation of chemical and physical structural information

1975 • 203 citations

Potential Energy Surface Including Electron Correlation for F + H ₂ → FH + H: Refined Linear Surface

1972 • 163 citations

Extended Hartree—Fock Ground-State Wavefunctions for the Lithium Molecule

1967 • 131 citations

The ionization potentials of clustered alkali metal atoms

1969 • 110 citations

Avoided intersection of potential energy surfaces: The (H+ + H2, H + H2+) system

1973 • 100 citations

Energy disposal and energy requirements for elementary chemical reactions

1973 • 64 citations

Molecular Beam Kinetics: Reactions of H and D Atoms with Diatomic Alkali Molecules

1971 • 62 citations

Valence excited states of CH. II. Properties

1973 • 48 citations

Excited Electronic States of Lithium and Sodium Molecules

1960 • 48 citations

Applications of Diatomics-in-Molecules Theory. I. Prediction of Stable LiH2 and Li2H Molecules

1968 • 36 citations

Simplest halogen atom plus alkali dimer potential surface: F+Li2→LiF+Li

1973 • 34 citations

Analytical Hartree‐Fock wavefunctions for the neutral atoms from helium to xenon

1974 • 31 citations