Transition-state optimization on free energy surface: Toward solution chemical reaction ergodography

International Journal of Quantum Chemistry

Volumn 70, Issue 1, 1998, Pages 95-103

  Okuyama Yoshida, Naoto ^a,c   Nagaoka, Masataka ^a   Yamabe, Tokio ^b  

^a INSTITUTE FOR FUNDAMENTAL CHEMISTRY   (Japan)

^b KYOTO UNIVERSITY   (Japan)

^c DAICEL CORPORATION   (Japan)

Author keywords

Free energy surface; Intrinsic reaction coordinate; Solution chemical reaction ergodography; Transition state optimization

Indexed keywords

EID: 0003121620     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(1998)70:1<95::AID-QUA7>3.0.CO;2-0     Document Type: Article

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