Theoretical modeling of molecular spectra parameters of disubstituted diacetylenes

Journal of Chemical Information and Modeling

Volumn 51, Issue 2, 2011, Pages 283-295

  Roman, MacIej ^a   Dobrowolski, Jan Cz ^b,c   Baranska, Malgorzata ^a  

^a JAGIELLONIAN UNIVERSITY   (Poland)

^b INDUSTRIAL CHEMISTRY RESEARCH INSTITUTE   (Poland)

^c NATIONAL MEDICINES INSTITUTE   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL SHIFT; ELECTRON DENSITY MEASUREMENT; ELECTRONS; LAPLACE TRANSFORMS; MASS SPECTROMETRY; MOLECULAR SPECTROSCOPY;

BOND CRITICAL POINTS; COUPLING CONSTANTS; DIACETYLENE MOIETY; ELECTRON DONATING PROPERTIES; ELECTRON REPULSION; ELECTRONWITHDRAWING; MOLECULAR SPECTRA; THEORETICAL MODELING;

BOND LENGTH;

EID: 79952123600     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci1003587     Document Type: Article

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