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Functional representation of Liu and Siegbahn’s accurate a b i n i t i o potential energy calculations for H+H2

Data up to Jan 2025

Published1978
Citations615
References33

Total Citations Per Year

Abstract

References (33)

Potential-Energy Curves for the X 1Σg+, b3Σu+, and C 1Πu States of the Hydrogen Molecule

1965 • 1,371 citations

Dynamics of Molecular Collisions

1976 • 1,149 citations

An accurate three-dimensional potential energy surface for H3

1978 • 771 citations

The 1973 Least-Squares Adjustment of the Fundamental Constants

1973 • 676 citations

Potential Energy Surface for H3

1964 • 665 citations

Ab initio potential energy surface for linear H3

1973 • 522 citations

Quantum mechanical reactive scattering for three-dimensional atom plus diatom systems. II. Accurate cross sections for H+H2

1976 • 357 citations

Exact and Approximate Quantum Mechanical Reaction Probabilities and Rate Constants for the Collinear H + H2 Reaction

1972 • 240 citations

History of H3 Kinetics

1976 • 227 citations

Potential energy surfaces for atom transfer reactions involving hydrogens and halogens

1971 • 155 citations

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

1970 • 148 citations

Monte Carlo trajectory study of Ar+H2 collisions. I. Potential energy surface and cross sections for dissociation, recombination, and inelastic scattering

1976 • 115 citations

Correlation of Experimental Rate Constants of the Hydrogen Exchange Reactions with a Theoretical H3 Potential Surface, Using Transition-State Theory

1968 • 105 citations

A many-body expansion of polyatomic potential energy surfaces: application to H n systems

1977 • 101 citations

PNO-CEPA calculation of collinear potential energy barriers for thermoneutral exchange reactions

1977 • 86 citations

Quantum mechanical reactive scattering for planar atom plus diatom systems. I. Theory

1976 • 82 citations

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

1964 • 78 citations

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

1974 • 64 citations

Central-field intermolecular potentials from the differential elastic scattering of H2(D2) by other molecules

1973 • 60 citations

Molecular beam measurements of the D–H2 potential and recalibration of the reactive cross section

1975 • 55 citations

Short-Range Intermolecular Forces. II. H2–H2 and H2–H

1957 • 50 citations

Rotational excitation of H2and D2by H impact

1966 • 48 citations

Inelastic scattering calculations in polyatomic systems using an a b i n i t i o intermolecular potential energy surface: The CO2* (0,0,1,0)+H2(D2) →CO2(0,0,0,0)+H2(D2) systems

1977 • 41 citations

Quantum mechanical reactive scattering for planar atom plus H2 * diatom systems. II. Accurate cross sections for H+H2 *

1976 • 39 citations

Rotational Excitation of the (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>) System

1969 • 33 citations

Inelastic collisions between an atom and a diatomic molecule. II. H+H2 rotational excitation

1975 • 29 citations

On the anisotropy of the H2–H potential energy surface

1975 • 24 citations

Classical trajectories for the H+H2 reaction on a spline-generated potential energy surface

1977 • 24 citations

A new empirical potential hypersurface for bimolecular reaction systems

1977 • 21 citations

Quantum dynamics for pseudorotation of XPF4 molecules

1977 • 19 citations

A spline-fitted potential surface for bent triatomic molecules

1977 • 17 citations

Vibrational-Rotational Excitation in Atom-Diatomic-Molecule Collisions

1973 • 11 citations

Inelastic collisions between an atom and a diatomic molecule. III. Comparison of approximation methods as applied to the H+H2 rotational excitation

1976 • 5 citations

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Functional representation of Liu and Siegbahn’s accurate a b i n i t i o potential energy… (1978) – The Journal of Chemical Physics | Metascience Observatory Explorer