Solvent effects on the structural, electronic properties and intramolecular N–H O hydrogen bond strength of 5-aminomethylene-pyrimidine-2,4,6 trion with DFT calculations

标题
Solvent effects on the structural, electronic properties and intramolecular N–H O hydrogen bond strength of 5-aminomethylene-pyrimidine-2,4,6 trion with DFT calculations
作者
关键词
5-Aminomethylene-pyrimidine-2, 4, 6 trion, Solvent effect, AIM, NBO, Hydrogen bond strength, Resonance parameters
出版物
JOURNAL OF MOLECULAR LIQUIDS
Volume 215, Issue -, Pages 77-87
出版商
Elsevier BV
发表日期
2015-12-19
DOI
10.1016/j.molliq.2015.11.038

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