HD isotope effect of methyl internal rotation for acetaldehyde in ground state as calculated from a multicomponent molecular orbital method

Journal of Chemical Physics

Volumn 128, Issue 18, 2008, Pages

  Ishimoto, Takayoshi ^a,b   Ishihara, Yasuyuki ^c   Teramae, Hiroyuki ^c   Baba, Masaaki ^d   Nagashima, Umpei ^a,b  

^a NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

^c JOSAI UNIVERSITY   (Japan)

^d KYOTO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

GROUND STATE; ISOTOPES; MOLECULAR ORBITALS; PROTONS; ROTATION; WAVE FUNCTIONS;

ACETALDEHYDES; DEUTERONS; METHYL INTERNAL ROTATION; MULTICOMPONENT MOLECULAR ORBITAL METHODS; PROTONIC QUANTUM EFFECT; ROTATIONAL CONSTANT;

ALDEHYDES;

EID: 43949102050     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2917149     Document Type: Article

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