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Theoretical calculations of properties of some nitrosoureas
Author(s) -
Sapse AnneMarie,
Snyder Grace
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560240720
Subject(s) - conformational isomerism , chemistry , nitroso , computational chemistry , proton , group (periodic table) , proton affinity , stereochemistry , medicinal chemistry , organic chemistry , molecule , physics , quantum mechanics , ion , protonation
The energy difference between syn and anti conformers of some nitrosoureas and the energy required to shift intramolecularly the proton from the amino group to the nitroso groups are calculated for various substituents on the amino group.