A study of solvent polarity and hydrogen bonding effects on the nitrogen NMR shieldings of N-nitramines and ab initio calculations of the nitrogen shieldings of C-nitro, N-nitro and O-nitro systems

Journal of Molecular Structure

Volumn 602-603, Issue , 2002, Pages 199-207

  Witanowski, Michal ^a   Biedrzycka, Zenobia ^a   Sicinska, Wanda ^a   Grabowski, Zbigniew ^a  

^a INSTITUTE OF ORGANIC CHEMISTRY   (Poland)

Author keywords

Ab initio calculations; Hydrogen bonding; N nitramines; Nitrogen NMR shieldings; Solvent effects

Indexed keywords

ACETONE; ALCOHOL; BENZENE; CARBON TETRACHLORIDE; CYCLOHEXANE; DICHLOROMETHANE; DIETHYLNITRAMINE; DIMETHYL SULFOXIDE; DIMETHYLNITRAMINE; DIOXANE; ETHER; METHANOL; N NITRAMINE DERIVATIVE; NITROGEN DERIVATIVE; SOLVENT; UNCLASSIFIED DRUG; WATER;

AB INITIO CALCULATION; ACCURACY; ARTICLE; CALCULATION; HYDROGEN BOND; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

EID: 0037045277     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-2860(01)00734-7     Document Type: Article

References (21)