Quasiclassical predictions of final vibrational state distributions in reactive and nonreactive collisions

Donald G. Truhlar

doi:10.1002/qua.560100826

Quasiclassical predictions of final vibrational state distributions in reactive and nonreactive collisions

Donald G. Truhlar

Chemistry (Twin Cities)

Research output: Contribution to journal › Article › peer-review

35 Scopus citations

Abstract

The validity of quasiclassical and semiclassical trajectory methods for predicting state‐to‐state vibrational transition probabilities in collisions of atoms with diatomic molecules is discussed with special emphasis on tests against accurate quantum calculations for He + H₂, H + Cl₂, and I + H₂ collisions.

Original language	English (US)
Pages (from-to)	239-250
Number of pages	12
Journal	International Journal of Quantum Chemistry
Volume	10
Issue number	10 S
DOIs	https://doi.org/10.1002/qua.560100826
State	Published - 1976

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10.1002/qua.560100826

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title = "Quasiclassical predictions of final vibrational state distributions in reactive and nonreactive collisions",

abstract = "The validity of quasiclassical and semiclassical trajectory methods for predicting state‐to‐state vibrational transition probabilities in collisions of atoms with diatomic molecules is discussed with special emphasis on tests against accurate quantum calculations for He + H2, H + Cl2, and I + H2 collisions.",

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year = "1976",

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T1 - Quasiclassical predictions of final vibrational state distributions in reactive and nonreactive collisions

AU - Truhlar, Donald G.

PY - 1976

Y1 - 1976

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AB - The validity of quasiclassical and semiclassical trajectory methods for predicting state‐to‐state vibrational transition probabilities in collisions of atoms with diatomic molecules is discussed with special emphasis on tests against accurate quantum calculations for He + H2, H + Cl2, and I + H2 collisions.

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JO - International Journal of Quantum Chemistry

JF - International Journal of Quantum Chemistry

IS - 10 S

ER -

Quasiclassical predictions of final vibrational state distributions in reactive and nonreactive collisions

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