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Force field and normal coordinate calculations of the amino acid l-asparagine

✍ Scribed by J Casado; J.T López Navarrete; F.J Ramírez

Publisher: Elsevier Science
Year: 1995
Tongue: English
Weight: 554 KB
Volume: 51
Category: Article
ISSN: 1386-1425
DOI: 10.1016/0584-8539(95)01476-4

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Raman spectroscopy and the self-consistent reaction Ðeld (SCRF) theory were used to study structural and vibrational features of the amino acid L-asparagine in and solutions. Ab initio methodology at the RHF/6-H 2 O D 2 O 31 + G\* level were used to evaluate the minimum energy structure, quadratic f