The Electronic Transitions of Paranitrophenol and Paranitrophenolate in Gas and Water: A Study Combining Ab Initio Multiconfigurational Calculations and the Free Energy Gradient Method

The Electronic Transitions of Paranitrophenol and Paranitrophenolate in Gas and Water: A Study Combining Ab Initio Multiconfigurational Calculations and the Free Energy Gradient Method
复制标题

气体和水中对硝基苯酚和对硝基苯酚盐的电子跃迁:从头算多构型计算与自由能梯度法相结合的研究

DOI:
--
复制
发表时间:
2016
期刊:
影响因子:
--
通讯作者:
Sylvio Canuto
Sylvio Canuto
中科院分区:
--
文献类型:
--
作者:
Carlos Bistafa;Yukichi Kitamura;Masataka Nagaoka;Sylvio Canuto

文献摘要

相似文献