January 1, 1984

Classical barrier height for H+H2→H2+H

Key Points

Key points are not available for this paper at this time.

Abstract

A b initio configuration interaction calculations on H3 and H2 show that the classical barrier for H+H2→H2+H must be less than 9.86 kcal/mol and most likely lies between 9.53 and 9.65 kcal/mol.

Perguntar à IA

Bookmark

View Full Paper

Cite This Study

Bingxi Liu (Sun,) studied this question.

synapsesocial.com/papers/69d8feb0a5ecc596b5d18fff https://doi.org/https://doi.org/10.1063/1.446441

Also Consider

Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context:

1Potential-Energy Curves for the X 1Σg+, b3Σu+, and C 1Πu States of the Hydrogen Molecule1965 · 1,386 citations
2An accurate three-dimensional potential energy surface for H31978 · 777 citations
3Ab initio potential energy surface for linear H31973 · 529 citations
4Fixed-node quantum Monte Carlo for moleculesa) b)1982 · 1,070 citations
5Accurate Adiabatic Treatment of the Ground State of the Hydrogen Molecule1964 · 647 citations

Perguntar à IA

Bookmark

View Full Paper