Substituent effect on structure, electron density, and intramolecular hydrogen bonding in nitroso-oxime methane

International Journal of Quantum Chemistry

Volumn 111, Issue 14, 2011, Pages 3505-3516

  Yoosefian, Mehdi ^a   Raissi, Heidar ^a   Nadim, Emad Saleh ^b   Farzad, Farzaneh ^a   Fazli, Mustapha ^c   Karimzade, Elham ^a   Nowroozi, Alireza ^d  

^a UNIVERSITY OF BIRJAND   (Iran)

^b PAYAME NOOR UNIVERSITY   (Iran)

^c SEMNAN UNIVERSITY   (Iran)

^d UNIVERSITY OF SISTAN AND BALUCHESTAN   (Iran)

Author keywords

AIM; DFT calculations; harmonic oscillator model of aromaticity index; intramolecular hydrogen bond; NBO; nitroso oxime methane

Indexed keywords

AIM; DFT CALCULATION; HARMONIC OSCILLATOR MODEL OF AROMATICITY; INTRAMOLECULAR HYDROGEN BOND; NBO; NITROSO-OXIME METHANE;

AROMATIZATION; BOND STRENGTH (MATERIALS); CALCULATIONS; CARRIER CONCENTRATION; DENSITY FUNCTIONAL THEORY; ELECTRON DENSITY MEASUREMENT; ELECTRONS; HYDROGEN; LAPLACE TRANSFORMS; METHANE; NITROGEN COMPOUNDS; OSCILLATORS (ELECTRONIC); OSCILLATORS (MECHANICAL); POPULATION STATISTICS; QUANTUM THEORY; TOPOLOGY;

HYDROGEN BONDS;

EID: 80052092147     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22793     Document Type: Article

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