A comparative study of MP2, B3LYP, RHF and SCC-DFTB force fields in predicting the vibrational spectra of N-acetyl-L-alanine-N'-methyl amide: VA and VCD spectra

Chemical Physics

Volumn 246, Issue 1-3, 1999, Pages 13-36

  Bohr, H G ^a   Jalkanen, K J ^b   Elstner, M ^b,c   Frimand, K ^a   Suhai, S ^b  

^a TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

^b GERMAN CANCER RESEARCH CENTER DKFZ   (Germany)

^c UNIVERSITY OF PADERBORN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0033466066     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0301-0104(99)00176-7     Document Type: Article

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