MORATE: a program for direct dynamics calculations of chemical reaction rates by semiempirical molecular orbital theory

Thanh N. Truong; Da-hong Lu; Gillian C. Lynch; Yi-Ping Liu; Vasilios S. Melissas; James J. P. Stewart; Rozeanne Steckler; Bruce C. Garrett; Alan D. Isaacson; Àngels González‐Lafont; N. Sachchida; Gene C. Hancock; Tomi Joseph; Donald G Truhlar

doi:10.1016/0010-4655(93)90172-9

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MORATE: a program for direct dynamics calculations of chemical reaction rates by semiempirical molecular orbital theory

Article 1993 en

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