Igor Ying Zhang

Fudan University — China

Physics and Astronomy · Physical Sciences

32h-index8.3kcitations117works3.22yr avg
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Research Topics

Advanced Chemical Physics Studies(53), Machine Learning in Materials Science(21), Advanced oxidation water treatment(16), Spectroscopy and Quantum Chemical Studies(15), Catalysis and Oxidation Reactions(13)

Publications114 total

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
The Journal of Physical Chemistry A·2026
Hydrogen sulfide binds to the catalytic zinc ion in HDAC6 to modulate enzyme activity via an alternative deacetylation pathway
2026Open Access
Dynamic pulse-engineered electrochemistry: A frontier paradigm for sustainable environmental catalysis and pollution remediation
Chemical Engineering Journal·2025
Introduction to the fifth-rung density functional approximations: concept, formulation, and applications
Electronic Structure·2025Open Access
Critical role of RO radicals in autocatalytic decomposition of nitrate esters
Chemical Engineering Journal·2025
Deciphering the Coordination Environment’s Impact on O–O Activation in Dicopper Enzymes: Computational Insights from AhyBURP Peptide Cyclase
ACS Catalysis·2025
Unraveling the Catalytic Mechanism and Substrate Selectivity of HDAC10: A Dual-Filter Approach for Polyamine Deacetylation
JACS Au·2025Open Access
The local well-posedness of the Schrödinger–KdV system in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:msup> <mml:mi>H</mml:mi> <mml:mrow> <mml:msub> <mml:mi>s</mml:mi> <mml:mn>1</mml:mn> </mml:msub> </mml:mrow> </mml:msup> <mml:mo>×</mml:mo> <mml:msup> <mml:mi>H</mml:mi> <mml:mrow> <mml:msub> <mml:mi>s</mml:mi> <mml:mn>2</mml:mn> </mml:msub> </mml:mrow> </mml:msup> </mml:mrow> </mml:math> , I
Nonlinearity·2025· 1 cited
Determinants of Electron Transport at Asymmetric Metal/Organic/Metal Contacts
2025Open Access
Efficient Removal of Sulfamethoxazole in Electro-Oxidation System with Boron-Doped Diamond Anode and Electrolyte NaCl: Degradation Mechanisms
Molecules·2025· 5 citedOpen Access
A cross-entropy corrected hybrid multiconfiguration pair-density functional theory for complex molecular systems
Nature Communications·2025· 6 citedOpen Access
Critical Role of Ro Radicals in Autocatalytic Decomposition of Nitrate Esters
SSRN Electronic Journal·2025Open Access
Analytic Simulation Of Strongly Non-Gaussian Non-Stationary Stochastic Processes Via Stochastic Adaptive Sparse Representation Based on the Iterative  Method
SSRN Electronic Journal·2025Open Access
Coupled-cluster theory for the ground state and for excitations
arXiv (Cornell University)·2024Open Access
Electrocatalytic degradation of naphthenic acids using reduced graphene oxide modified nickel foam cathode: Role of surface structure and superoxide radical
Chemical Engineering Journal·2024· 7 cited
Hydrogen‐Bonded Complexes of HPN⋅ and HNP⋅ Radicals with Carbon Monoxide
Angewandte Chemie·2024· 1 cited
Hydrogen‐Bonded Complexes of HPN⋅ and HNP⋅ Radicals with Carbon Monoxide
Angewandte Chemie International Edition·2024· 4 citedOpen Access
How accurate can <scp>Kohn‐Sham</scp> density functional be for both main‐group and transition metal reactions
Journal of Computational Chemistry·2024· 2 cited
Application of Different Waveforms of Pulsed Current in the Classical Electro-Cocatalytic Process for Effective Removal of Sulfamethoxazole: Oxidation Mechanisms
Catalysts·2024· 4 citedOpen Access
Identification of Active Sites on Boron-Doped Graphitic Carbon Nitride as a Metal-Free Single-Atom Photoelectrocatalyst for the Nitrogen Reduction Reaction
The Journal of Physical Chemistry C·2024· 8 cited
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Frequent Co-authors

Xin Xu(31), Matthias Scheffler(8), Jianming Wu(6), Patrick Rinke(5), Anan Wu(5), Rongfu Huang(5), Xinguo Ren(4), Yi Luo(4), Xianhu Long(4), YiJing Yan(3), Neil Qiang Su(3), R. Kramer Campen(3), Yujin Tong(3), Yajing Li(3), Zhe‐Ning Chen(3), Gang Fu(3), John P. Perdew(2), William A. Goddard(2), Volker Blüm(2), Can Li(2)