Reliable ab initio calculation of a chemical reaction rate and a kinetic isotope effect: H + H2 and 2H + 2H2

B. C. Garrett; D. G. Truhlar

doi:10.1073/pnas.76.10.4755

Reliable ab initio calculation of a chemical reaction rate and a kinetic isotope effect: H + H₂ and ²H + ²H₂

B. C. Garrett, D. G. Truhlar

Chemistry (Twin Cities)

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

90 Scopus citations

Original language	English (US)
Pages (from-to)	4755-4759
Number of pages	5
Journal	Proceedings of the National Academy of Sciences of the United States of America
Volume	76
Issue number	10
DOIs	https://doi.org/10.1073/pnas.76.10.4755
State	Published - 1979

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10.1073/pnas.76.10.4755

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title = "Reliable ab initio calculation of a chemical reaction rate and a kinetic isotope effect: H + H2 and 2H + 2H2",

author = "Garrett, {B. C.} and Truhlar, {D. G.}",

year = "1979",

doi = "10.1073/pnas.76.10.4755",

language = "English (US)",

volume = "76",

pages = "4755--4759",

journal = "Proceedings of the National Academy of Sciences of the United States of America",

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AU - Garrett, B. C.

AU - Truhlar, D. G.

PY - 1979

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VL - 76

SP - 4755

EP - 4759

JO - Proceedings of the National Academy of Sciences of the United States of America

JF - Proceedings of the National Academy of Sciences of the United States of America

SN - 0027-8424

IS - 10

ER -

Reliable ab initio calculation of a chemical reaction rate and a kinetic isotope effect: H + H2 and 2H + 2H2

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Reliable ab initio calculation of a chemical reaction rate and a kinetic isotope effect: H + H₂ and ²H + ²H₂