Fengjiao Liu

6PUBLICATIONS
13CO-AUTHORS
Supramolecular chemistryCheminformatics and quantitative structure-activity relationshipsRadiation and matterChemical and thermal processes in energy and combustionTheoretical quantum chemistry
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Publications (6)

|Sep 09, 2026
Rylene Diimides Featuring Quadruple C─H···(O═C) Locking for High-Mobility Organic Semiconductors.

|Jan 25, 2024
Potent inhibitors targeting cyclin-dependent kinase 9 discovered via virtual high-throughput screening and absolute binding free energy calculations.

Shipeng Wang, Fengjiao Liu, Pengfei Li

|Aug 21, 2023
Role of Steric Effects on Rates of Hydrogen Atom Transfer Reactions.

Yi Sun, Fengjiao Liu, Jacob N Sanders

|Oct 10, 2022
Rapid and Accurate Estimation of Activation Free Energy in Hydrogen Atom Transfer-Based C-H Activation Reactions: From Empirical Model to Artificial Neural Networks.

Siqi Ma, Shipeng Wang, Jiawei Cao

|Apr 05, 2022
Hydrogen Abstraction by Alkoxyl Radicals: Computational Studies of Thermodynamic and Polarity Effects on Reactivities and Selectivities.

Fengjiao Liu, Siqi Ma, Zeying Lu

|Oct 03, 2018
Efficient Computation of Free Energy Surfaces of Diels⁻Alder Reactions in Explicit Solvent at Ab Initio QM/MM Level.

Pengfei Li, Fengjiao Liu, Xiangyu Jia

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Frequent Collaborators

3 joint publications

Ye Mei

2 joint publications

K N Houk

1 joint publications

Pengfei Li

1 joint publications

Xiangyu Jia