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：

暂无

中图分类号：

学科分类号：

摘要：

引用

页码：1173 / 1179

页数：6

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