Origin of the gauche preference of n-propyl halides and related molecules investigated by ab initio MO calculations: Importance of the CH/n hydrogen bond

Chemical Physics Letters

Volumn 440, Issue 1-3, 2007, Pages 64-69

  Takahashi, Osamu ^a   Yamasaki, Katsuyoshi ^a   Kohno, Yuji ^b   Ueda, Kazuyoshi ^b   Suezawa, Hiroko ^c   Nishio, Motohiro ^d  

^a HIROSHIMA UNIVERSITY   (Japan)

^b YOKOHAMA NATIONAL UNIVERSITY   (Japan)

^c JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

^d CHPI Institute   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CONFORMATIONS; HYDROGEN BONDS; MOLECULAR DYNAMICS; ORGANIC COMPOUNDS; VAN DER WAALS FORCES;

CONFORMERS; GAUCHE PREFERENCE; METHYL GROUP; NATURAL BOND ORBITAL (NBO);

HALOGEN COMPOUNDS;

EID: 34248209761     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2007.04.013     Document Type: Article

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