Locating the lowest free-energy point on conical intersection in polar solvent: Reference interaction site model self-consistent field study of ethylene and CH 2NH 2 +

Journal of Chemical Physics

Volumn 123, Issue 11, 2005, Pages

  Yamazaki, Shohei ^a   Kato, Shigeki ^a  

^a KYOTO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CONICAL INTERSECTIONS (CI); ELECTROSTATIC INTERACTION; LINEAR-RESPONSE THEORY;

ELECTROSTATICS; ETHYLENE; ISOMERIZATION; OPTIMIZATION;

FREE ENERGY;

EID: 25444447969     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2038867     Document Type: Article

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