(Q57402601)

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POLYRATE: A general computer program for variational transition state theory and semiclassical tunneling calculations of chemical reaction rates

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POLYRATE: A general computer program for variational transition state theory and semiclassical tunneling calculations of chemical reaction rates (English)

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Donald G. Truhlar

2

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author name string

Alan D. Isaacson

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1

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Sachchida N. Rai

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3

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Rozeanne Steckler

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4

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Gene C. Hancock

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5

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Bruce C. Garrett

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6

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Michael J. Redmon

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7

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publication date

October 1987

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published in

Computer Physics Communications

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volume

47

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issue

1

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page(s)

91-102

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DOI

10.1016/0010-4655(87)90069-5

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(Q57402601)

POLYRATE: A general computer program for variational transition state theory and semiclassical tunneling calculations of chemical reaction rates

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