Simulation of Thermophysical Properties of Phenylpropanolamine Drug in Water by Ab Initio and DFT Methods

被引：0
|
作者：
Farhoush Fardad Koohyar
Vu Kiani
Fatemeh Van Tuan
机构：
[1] Division of Computational Physics,
[2] Institute for Computational Science,undefined
[3] Ton Duc Thang University,undefined
[4] Faculty of Applied Sciences,undefined
[5] Ton Duc Thang University,undefined
[6] Department of Chemistry,undefined
[7] Faculty of Science,undefined
[8] Ayatollah Amoli Branch,undefined
[9] Islamic Azad University,undefined
[10] Department of Physics,undefined
[11] Ayatollah Amoli Branch,undefined
[12] Islamic Azad University,undefined
来源：
Russian Journal of Physical Chemistry A | 2020年 / 94卷
关键词：
phenyl propanol amine; acidic dissociation constant; DFT; ab initio; changes in entropy; changes in enthalpy;
D O I：
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中图分类号：
学科分类号：
摘要：
引用
收藏
页码：1173 / 1179
页数：6
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