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"DOIT: a program to calculate thermal rate constants and mode-specific ..."

Zorka Smedarchina, Antonio Fernández-Ramos, Willem Siebrand (2001)

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DOI: 10.1002/JCC.1043

access: closed

type: Journal Article

metadata version: 2020-04-01

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Zorka Smedarchina, Antonio Fernández-Ramos, Willem Siebrand:
DOIT: a program to calculate thermal rate constants and mode-specific tunneling splittings directly from quantum-chemical calculations. J. Comput. Chem. 22(7): 787-801 (2001)

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