Molecular structure, vibrational spectra and theoretical NBO, HOMO-LUMO analysis of N-benzoyl glycine by DFT and ab-initio HF methods

Indian Journal of Pure and Applied Physics

Volumn 50, Issue 10, 2012, Pages 719-726

  Zhung, Roi Zhou ^a,b   Li, Xiao Hong ^a,b   Zhang, Xian Zhou ^c  

^a Hcnan University of Science and Technology ^*  (China)

^b HENAN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^c HENAN NORMAL UNIVERSITY   (China)

Author keywords

DFT. NBO analysis; HF oh mum calculation; N benzoyl glycinc; Vibrational spectra

Indexed keywords

EID: 84867729631     PISSN: 00195596     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

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