Igor Ying Zhang

15PUBLICATIONS
21CO-AUTHORS
Energy generation, conversion and storage (excl. chemical and electrical)Computational chemistryPhysical organic chemistryEpigenetics (incl. genome methylation and epigenomics)Bioremediation
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Publications (15)

|Jun 04, 2026
GW-BSE for molecular excited states in REST: State-of-the-art methods, acceleration strategies, and the LAMB approximation.

|Mar 05, 2026
Reassessing DFT Rankings for Ambimodal Cycloadditions: The Impact of Accurate CCSD(T) Benchmarks and New Doubly-Hybrid Functionals.

Ruiqi Cong, Rulin Feng, Igor Ying Zhang

|Jan 23, 2026
Quantifying the Substituent Effects on O-H···O Hydrogen Bonding Dominance in Hydroxylic Dimers: A Rotational Spectroscopic and Topological Study of the 2-Butyn Alcohol Dimer.

Hao Wang, Yajing Li, Mei Hong

|Sep 26, 2025
Unraveling the Catalytic Mechanism and Substrate Selectivity of HDAC10: A Dual-Filter Approach for Polyamine Deacetylation.

Shengyang Cai, Jingwei Weng, Igor Ying Zhang

|Mar 13, 2025
Efficient Removal of Sulfamethoxazole in Electro-Oxidation System with Boron-Doped Diamond Anode and Electrolyte NaCl: Degradation Mechanisms.

Xinghui Du, Wenxi Xie, Xianhu Long

|Jan 02, 2025
A cross-entropy corrected hybrid multiconfiguration pair-density functional theory for complex molecular systems.

Rulin Feng, Igor Ying Zhang, Xin Xu

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Frequent Collaborators

9 joint publications

Xin Xu

2 joint publications

Sheng Bi

1 joint publications

Gregor Zwaschka

1 joint publications

R Kramer Campen