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, Angels Gonzalez-Lafont, Sachchida N. Rai, Gene C. Hancock, Tomi Joseph, Donald G. Truhlar

Research output: Contribution to journalArticlepeer-review

87 Scopus citations

Fingerprint

Dive into the research topics of 'MORATE: a program for direct dynamics calculations of chemical reaction rates by semiempirical molecular orbital theory'. Together they form a unique fingerprint.

Keyphrases

Chemistry