A Unified Approach to Solvent Effects in Chemical Reactions: Self-Consistent Reaction Density Functional Theory

Yuchang Liu; Weiqiang Tang; Peng Xie; Shuangliang Zhao

doi:10.1021/acs.jpcb.5c07306

journal article Jan 31, 2026

A Unified Approach to Solvent Effects in Chemical Reactions: Self-Consistent Reaction Density Functional Theory

Yuchang Liu

Weiqiang Tang

Peng Xie

Shuangliang Zhao

The Journal of Physical Chemistry B Vol. 130 No. 14 pp. 3927-3938 · American Chemical Society (ACS)

View at Publisher Save 10.1021/acs.jpcb.5c07306

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Details

Published: Jan 31, 2026
Vol/Issue: 130(14)
Pages: 3927-3938
License: View

Authors

Y

Yuchang Liu

University Engineering Research Center of Green Chemical New Materials, School of Chemistry and Chemical Engineering; Guangxi University; Guangxi Low-Carbon Technology and Green Chemical Materials Laboratory

W

Weiqiang Tang

Interdisciplinary Research Center for Sustainable Energy Science and Engineering (IRC4SE2), School of Chemical Engineering; Zhengzhou University

P

Peng Xie

University Engineering Research Center of Green Chemical New Materials, School of Chemistry and Chemical Engineering; Guangxi University

S

Shuangliang Zhao

University Engineering Research Center of Green Chemical New Materials, School of Chemistry and Chemical Engineering; Guangxi University; Guangxi Low-Carbon Technology and Green Chemical Materials Laboratory

Funding

National Natural Science Foundation of China Award: 22168002

Guangxi Key Research and Development Program Award: AB23075211

Guangxi Key Laboratory of Petrochemical Resource Processing and Process Intensification Technology, Guangxi University

Science and Technology Department of Guangxi Zhuang Autonomous Region Award: AA23073019

Guangxi Major Talent Project

Cite This Article

Yuchang Liu, Weiqiang Tang, Peng Xie, et al. (2026). A Unified Approach to Solvent Effects in Chemical Reactions: Self-Consistent Reaction Density Functional Theory. The Journal of Physical Chemistry B, 130(14), 3927-3938. https://doi.org/10.1021/acs.jpcb.5c07306

A Unified Approach to Solvent Effects in Chemical Reactions: Self-Consistent Reaction Density Functional Theory

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