The DFT and MP2 based computational scrutiny on blue-shifted H–F stretching vibrational frequencies in hydrogen-fluoride complexes with nitriles: Insights into the decisive role of intermolecular hydrogen bonding (IMHB) in ground and electronic excited states

标题
The DFT and MP2 based computational scrutiny on blue-shifted H–F stretching vibrational frequencies in hydrogen-fluoride complexes with nitriles: Insights into the decisive role of intermolecular hydrogen bonding (IMHB) in ground and electronic excited states
作者
关键词
RCN⋯HF, Density functional theory (DFT), TD-DFT, AIM, NBO
出版物
Arabian Journal of Chemistry
Volume -, Issue -, Pages -
出版商
Elsevier BV
发表日期
2015-06-19
DOI
10.1016/j.arabjc.2015.06.003

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