A B3LYP study of proton transfer path within a complex of benzene radical cation and water cluster

Chemical Physics Letters

Volumn 432, Issue 1-3, 2006, Pages 22-26

  Shimizu, Moriyuki ^a   Yamashita, Emi ^a   Mitani, Masaki ^a   Yoshioka, Yasunori ^a  

^a MIE UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; COMPLEXATION; FREE RADICALS; MOLECULAR DYNAMICS; PROTONS;

HYBRID DENSITY FUNCTIONAL; PROTON TRANSFER PATH; RADICAL ELECTRON;

BENZENE;

EID: 33750966307     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2006.10.035     Document Type: Article

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