Structures and vibrational frequencies of pyruvic acid: Density functional theory study

Vibrational spectroscopy

Volumn 23, Issue 2, 2000, Pages 181-186

  Zhou, Zhengyu ^b   Du, Dongmei ^a   Fu, Aiping ^a  

^a QUFU NORMAL UNIVERSITY   (China)

^b State Key Lab Crystal Mat S   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; COMPUTATIONAL METHODS; CONFORMATIONS; FUNCTIONS; MOLECULAR SPECTROSCOPY; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS;

DENSITY FUNCTIONAL THEORY (DFT); HARTREE-FOCK METHOD; PYRUVIC ACID; VIBRATIONAL SPECTROSCOPY;

ORGANIC ACIDS;

EID: 0033737995     PISSN: 09242031     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0924-2031(00)00061-8     Document Type: Article

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