Direct ab initio molecular dynamics study of CH 3 + + benzene

Chemical Physics Letters

Volumn 396, Issue 1-3, 2004, Pages 16-20

  Ishikawa, Yasuyuki ^a   Yilmaz, Hulusi ^a   Yanai, Takeshi ^b   Nakajima, Takahito ^b,c   Hirao, Kimihiko ^b  

^a UNIVERSITY OF PUERTO RICO   (Puerto Rico)

^b UNIVERSITY OF TOKYO   (Japan)

^c JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

BENZENE; BENZENE DERIVATIVE; CARBON 11; CATION; HYDROGEN; ION; METHYL GROUP;

AB INITIO CALCULATION; ARTICLE; EVALUATION; ISOMER; MOLECULAR DYNAMICS; QUANTUM THEORY; REACTION ANALYSIS; STRUCTURE ANALYSIS;

EID: 7944236673     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2004.07.104     Document Type: Article

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