An exploration of conformational search of leucine molecule and their vibrational spectra in gas phase using ab initio methods

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 73, Issue 5, 2009, Pages 865-870

  Rai, Amareshwar Kumar ^a   Song, Ce ^a   Lin, Zijing ^a  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

Author keywords

Conformational distribution; DFT B3LYP methods; Infrared spectrum; Leucine conformers; Proton affinity

Indexed keywords

CONFORMATIONAL DISTRIBUTION; DFT/B3LYP METHODS; INFRARED SPECTRUM; LEUCINE CONFORMERS; PROTON AFFINITY;

AMINO ACIDS; CONFORMATIONS; GAS DYNAMICS; GASES; HYDROGEN; HYDROGEN BONDS; IONIZATION OF GASES; MOLECULAR SPECTROSCOPY; PETROLEUM PROSPECTING; PROTONS; SPECTRUM ANALYSIS; VIBRATIONAL SPECTRA;

INFRARED SPECTROSCOPY;

LEUCINE; PROTON;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; GAS; INFRARED SPECTROPHOTOMETRY; METHODOLOGY;

COMPUTER SIMULATION; GASES; LEUCINE; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; PROTONS; SPECTROPHOTOMETRY, INFRARED;

EID: 67649458049     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2009.04.023     Document Type: Article

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