A new H3 potential energy surface and its implications for chemical reaction

Exchange Reactions with Activation Energy. I. Simple Barrier Potential for (H, H2)

1965 • 975 citations

Potential Energy Surface for H3

1964 • 665 citations

Ab initio potential energy surface for linear H3

1973 • 522 citations

Molecular Energy Levels and Valence Bonds

1931 • 340 citations

Monte Carlo Calculations of Energy Partitioning and Isotope Effects in Reactions of Fluorine Atoms with H2, HD, and D2

1971 • 320 citations

A New Method of Drawing the Potential Energy Surface

1955 • 305 citations

Classical Dynamics of the Reaction of Fluorine Atoms with Hydrogen Molecules. II. Dependence on the Potential Energy Surface

1972 • 245 citations

Potential Energy Surface of the System of Three Atoms

1955 • 211 citations

Quantum Mechanics of the H+H2 Reaction: Exact Scattering Probabilities for Collinear Collisions

1970 • 148 citations

A Method of Diatomics in Molecules. II. H and H₃⁺¹

1963 • 132 citations

Configuration-Interaction Calculation of H3 and H2

1965 • 131 citations

Complex-valued classical trajectories for reactive tunneling in three-dimensional collisions of H and H2

1973 • 126 citations

Use of the method of diatomics-in-molecules in fitting ab initio potential surfaces:the system HeH+2

1972 • 121 citations

H3 Activated Complex and the Rate of Reaction of Hydrogen Atoms with Hydrogen Molecules

1959 • 117 citations

General Potential-Energy Function for Exchange Reactions

1962 • 93 citations

Quantum Theory of (H,<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">H</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>) Scattering: Approximate Treatments of Reactive Scattering

1971 • 86 citations

Extended diatomics in molecules calculations

1973 • 84 citations

Theoretical studies of H+H2 reactive scattering

1974 • 84 citations

Molecular Schrödinger Equation. VI. Results for H3 and Other Simple Systems

1967 • 82 citations

Complex-Valued Classical Trajectories for Linear Reactive Collisions of H + H2 below the Classical Threshold

1972 • 82 citations

Quantum-mechanical study of H + H2 reactive scattering

1967 • 78 citations

Empirical Evaluation of the London Potential Energy Surface for the H + H2 Reaction

1964 • 78 citations

Sensitivity of Exchange-Reaction Probabilities to the Potential-Energy Surface

1963 • 66 citations

Pseudonatural Orbitals as a Basis for the Superposition of Configurations. II. Energy Surface for Linear H3

1968 • 53 citations

Modified Semiempirical Approach to the H3 Potential-Energy Surface

1967 • 42 citations

The Approximations Involved in Calculations of Atomic Interaction and Activation Energies

1934 • 42 citations

Energy Surface for the Linear H3 System

1965 • 37 citations

Influence of Variations of the Potential-Energy Surface on Exchange-Reaction Probabilities

1972 • 34 citations

Effects of Variations of the Potential-Energy Surface on the Attributes of Simple Exchange Reactions: Classical Calculations

1972 • 26 citations

Resonance-Coupling Model for Simple Molecular Reactions

1971 • 22 citations

Differential Cross Sections for D+H2: A Comparison with Experiment

1971 • 19 citations

Determination of Accurate Single-Center Expansions with Slater-Type Orbitals: The H3 System

1967 • 12 citations