C{single bond}N rotational barrier, MP4 and CCSD(T) energies of formohydrazide and formohydroxamic acid and vibrational spectral analysis of the hydrazide

Journal of Molecular Structure

Volumn 920, Issue 1-3, 2009, Pages 450-453

  Badawi, Hassan M ^a  

^a KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS   (Saudi Arabia)

Author keywords

DFT B3LYP, MP2, MP4(SDTQ) and CCSD(T) calculations; Formohydrazide; Formohydroxamic acid; Rotational barrier; Vibrational assignments

Indexed keywords

ACIDS; MOLECULES; PROBABILITY DENSITY FUNCTION; PROGRAMMING THEORY; SPECTRUM ANALYSIS; SPECTRUM ANALYZERS;

DFT-B3LYP, MP2, MP4(SDTQ) AND CCSD(T) CALCULATIONS; FORMOHYDRAZIDE; FORMOHYDROXAMIC ACID; ROTATIONAL BARRIER; VIBRATIONAL ASSIGNMENTS;

CONFORMATIONS;

EID: 59749105455     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2008.12.008     Document Type: Article

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