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