Xiao He

ResearcherID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 83

Top Venues

Journal of chemical theory and computation

Journal of the American Chemical Society

The journal of physical chemistry. B

Nature communications

East China Normal University

Unviersity of Florida (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

East China Normal University

China

Professor :: School of Chemistry and Molecular Engineering

East China Normal University

China

Associate Professor :: State Key Laboratory of Precision Spectroscopy

Education History

Unviersity of Florida

United States

PHD :: Chemistry

Nanjing University

China

MSC :: Chemistry

Nanjing University

China

BSC :: Physics

Publications

Jiafei Mao, Xinsheng Jin, Man Shi, David Heidenreich, Lynda J Brown, Richard C D Brown, Moreno Lelli, Xiao He, Clemens Glaubitz
Molecular mechanisms and evolutionary robustness of a color switch in proteorhodopsins. Science advances 10 (4) (2024)
Jiabao Zhu, Pan Guo, Jinhuan Zhang, Yizhi Jiang, Shiwei Chen, Jinfeng Liu, Jian Jiang, Jinggang Lan, Xiao Cheng Zeng, Xiao He, Jinrong Yang
Superdiffusive Rotation of Interfacial Water on Noble Metal Surface. Journal of the American Chemical Society 146 (23) (2024)
Zheng Wan, Man Shi, Yanqing Gong, Massimo Lucci, Jin-Jin Li, Jiahai Zhou, Xiao-Liang Yang, Moreno Lelli, Xiao He, Jiafei Mao
Multitasking Pharmacophores Support Cabotegravir-Based Long-Acting HIV Pre-Exposure Prophylaxis (PrEP). Molecules (Basel, Switzerland) 29 (2) (2024)
Jiafei Mao, Xinsheng Jin, Man Shi, David Heidenreich, Lynda J Brown, Richard C D Brown, Moreno Lelli, Xiao He, Clemens Glaubitz
Molecular mechanisms and evolutionary robustness of a color switch in proteorhodopsins. Science advances 10 (4) (2024)
Jiabao Zhu, Pan Guo, Jinhuan Zhang, Yizhi Jiang, Shiwei Chen, Jinfeng Liu, Jian Jiang, Jinggang Lan, Xiao Cheng Zeng, Xiao He, Jinrong Yang
Superdiffusive Rotation of Interfacial Water on Noble Metal Surface. Journal of the American Chemical Society (2024)
Zheng Wan, Man Shi, Yanqing Gong, Massimo Lucci, Jin-Jin Li, Jiahai Zhou, Xiao-Liang Yang, Moreno Lelli, Xiao He, Jiafei Mao
Multitasking Pharmacophores Support Cabotegravir-Based Long-Acting HIV Pre-Exposure Prophylaxis (PrEP). Molecules (Basel, Switzerland) 29 (2) (2024)
Yannan Yang, Shiwei Chen, Min Zhang, Yiru Shi, Jiangqi Luo, Yiming Huang, Zhengying Gu, Wenli Hu, Ye Zhang, Xiao He, Chengzhong Yu
Mesoporous nanoperforators as membranolytic agents via nano- and molecular-scale multi-patterning. Nature communications 15 (1) (2024)
Wei Zhang, Chong Zhao, Wenjie Zhu, Xiao He, Yanchuan Zhao
Conformational Locking as a Strategy to Reverse Ion Recognition Selectivity. The Journal of organic chemistry 89 (6) (2024)
Jiafei Mao, Xinsheng Jin, Man Shi, David Heidenreich, Lynda J Brown, Richard C D Brown, Moreno Lelli, Xiao He, Clemens Glaubitz
Molecular mechanisms and evolutionary robustness of a color switch in proteorhodopsins. Science advances 10 (4) (2024)
Xia Liu, Jiacheng Gong, Yizhi Jiang, Xiao He, Jinrong Yang
Optimizing cell voltage dependence on size of carbon nanotube-based electrodes in Na-ion and K-ion batteries. Physical chemistry chemical physics : PCCP 26 (15) (2024)
Yannan Yang, Shiwei Chen, Min Zhang, Yiru Shi, Jiangqi Luo, Yiming Huang, Zhengying Gu, Wenli Hu, Ye Zhang, Xiao He, Chengzhong Yu
Mesoporous nanoperforators as membranolytic agents via nano- and molecular-scale multi-patterning. Nature communications 15 (1) (2024)
Xia Liu, Jiacheng Gong, Yizhi Jiang, Xiao He, Jinrong Yang
Optimizing cell voltage dependence on size of carbon nanotube-based electrodes in Na-ion and K-ion batteries. Physical chemistry chemical physics : PCCP (2024)
Zheng Wan, Man Shi, Yanqing Gong, Massimo Lucci, Jin-Jin Li, Jiahai Zhou, Xiao-Liang Yang, Moreno Lelli, Xiao He, Jiafei Mao
Multitasking Pharmacophores Support Cabotegravir-Based Long-Acting HIV Pre-Exposure Prophylaxis (PrEP). Molecules (Basel, Switzerland) 29 (2) (2024)
Wei Zhang, Chong Zhao, Wenjie Zhu, Xiao He, Yanchuan Zhao
Conformational Locking as a Strategy to Reverse Ion Recognition Selectivity. The Journal of organic chemistry (2024)
Yannan Yang, Shiwei Chen, Min Zhang, Yiru Shi, Jiangqi Luo, Yiming Huang, Zhengying Gu, Wenli Hu, Ye Zhang, Xiao He, Chengzhong Yu
Mesoporous nanoperforators as membranolytic agents via nano- and molecular-scale multi-patterning. Nature communications 15 (1) (2024)
Zheng Wan, Man Shi, Yanqing Gong, Massimo Lucci, Jin-Jin Li, Jiahai Zhou, Xiao-Liang Yang, Moreno Lelli, Xiao He, Jiafei Mao
Multitasking Pharmacophores Support Cabotegravir-Based Long-Acting HIV Pre-Exposure Prophylaxis (PrEP). Molecules (Basel, Switzerland) 29 (2) (2024)
Guangxing Gu, Chong Zhao, Wei Zhang, Jiajin Weng, Zhenchuang Xu, Jian Wu, Yingbo Xie, Xiao He, Yanchuan Zhao
Chiral Discrimination of Acyclic Secondary Amines by 19 F NMR. Analytical chemistry 96 (2) (2024)
Guangxing Gu, Chong Zhao, Wei Zhang, Jiajin Weng, Zhenchuang Xu, Jian Wu, Yingbo Xie, Xiao He, Yanchuan Zhao
Chiral Discrimination of Acyclic Secondary Amines by 19 F NMR. Analytical chemistry (2024)
Jianda Yue, Yekui Yin, Xujun Feng, Jiawei Xu, Yaqi Li, Tingting Li, Songping Liang, Xiao He, Zhonghua Liu, Ying Wang
Discovery of the Inhibitor Targeting the SLC7A11/xCT Axis through In Silico and In Vitro Experiments. International journal of molecular sciences 25 (15) (2024)
Yannan Yang, Shiwei Chen, Min Zhang, Yiru Shi, Jiangqi Luo, Yiming Huang, Zhengying Gu, Wenli Hu, Ye Zhang, Xiao He, Chengzhong Yu
Mesoporous nanoperforators as membranolytic agents via nano- and molecular-scale multi-patterning. Nature communications 15 (1) (2024)
Yue Wang, Yinjie Qian, Limin Zhang, Zhihui Zhang, Shiwei Chen, Jinfeng Liu, Xiao He, Yang Tian
Conductive Metal-Organic Framework Microelectrodes Regulated by Conjugated Molecular Wires for Monitoring of Dopamine in the Mouse Brain. Journal of the American Chemical Society 145 (4) (2023)
Yue Wang, Yinjie Qian, Limin Zhang, Zhihui Zhang, Shiwei Chen, Jinfeng Liu, Xiao He, Yang Tian
Conductive Metal-Organic Framework Microelectrodes Regulated by Conjugated Molecular Wires for Monitoring of Dopamine in the Mouse Brain. Journal of the American Chemical Society 145 (4) (2023)
Yuntao Li, Jinrong Yang, Xiao He
Characterizing polyproline II conformational change of collagen superhelix unit on adsorption on gold surface. Nanoscale advances 5 (19) (2023)
Yue Wang, Yinjie Qian, Limin Zhang, Zhihui Zhang, Shiwei Chen, Jinfeng Liu, Xiao He, Yang Tian
Conductive Metal-Organic Framework Microelectrodes Regulated by Conjugated Molecular Wires for Monitoring of Dopamine in the Mouse Brain. Journal of the American Chemical Society (2023)
Yiwei Liu, Jin-Feng Liu, Xiao He
Different p K a Shifts of Internal GLU8 in Human β-Endorphin Amyloid Revealing a Coupling of Internal Ionization and Stepwise Fibril Disassembly. The journal of physical chemistry. B 127 (5) (2023)
Yiwei Liu, Jin-Feng Liu, Xiao He
Different p K a Shifts of Internal GLU8 in Human β-Endorphin Amyloid Revealing a Coupling of Internal Ionization and Stepwise Fibril Disassembly. The journal of physical chemistry. B 127 (5) (2023)
Rusi Peng, Shiqing Li, Zheng Wan, Zhi-Qiang Wang, Xiaomeng Si, Jie Tuo, Hao Xu, Yejun Guan, Jingang Jiang, Yan-Hang Ma, Xiao He, Xue-Qing Gong, Peng Wu
Directing Highly a -Axis-Oriented ZSM-5 Nanosheets with Pre-estimated Bifunctional Imidazole Cations. ACS applied materials & interfaces (2023)
Yiwei Liu, Jin-Feng Liu, Xiao He
Different p K a Shifts of Internal GLU8 in Human β-Endorphin Amyloid Revealing a Coupling of Internal Ionization and Stepwise Fibril Disassembly. The journal of physical chemistry. B (2023)
Jinhuan Zhang, Clara Nassrin Kriebel, Zheng Wan, Man Shi, Clemens Glaubitz, Xiao He
Automated Fragmentation Quantum Mechanical Calculation of 15 N and 13 C Chemical Shifts in a Membrane Protein. Journal of chemical theory and computation (2023)
Lan Yu, Xiao He, Xiaomin Fang, Lihang Liu, Jin-Feng Liu
Deep Learning with Geometry-Enhanced Molecular Representation for Augmentation of Large-Scale Docking-Based Virtual Screening. Journal of chemical information and modeling (2023)
Yiwei Liu, Jin-Feng Liu, Xiao He
Different p K a Shifts of Internal GLU8 in Human β-Endorphin Amyloid Revealing a Coupling of Internal Ionization and Stepwise Fibril Disassembly. The journal of physical chemistry. B 127 (5) (2023)
Yue Wang, Yinjie Qian, Limin Zhang, Zhihui Zhang, Shiwei Chen, Jinfeng Liu, Xiao He, Yang Tian
Conductive Metal-Organic Framework Microelectrodes Regulated by Conjugated Molecular Wires for Monitoring of Dopamine in the Mouse Brain. Journal of the American Chemical Society 145 (4) (2023)
Yan Li, Ying Wang, Rui Ming Zhang, Xiao He, Xuefei Xu
Comprehensive Theoretical Study on Four Typical Intramolecular Hydrogen Shift Reactions of Peroxy Radicals: Multireference Character, Recommended Model Chemistry, and Kinetics. Journal of chemical theory and computation (2023)
Jiacheng Gong, Jiabao Zhu, Xiao He, Jinrong Yang
Using a cyclocarbon additive as a cyclone separator to achieve fast lithiation and delithiation without dendrite growth in lithium-ion batteries. Nanoscale (2023)
Lulu Xiong, Xiao He, Jinrong Yang
Origin of humidity influencing the excited state electronic properties of silicon quantum dot based light-emitting diodes. Physical chemistry chemical physics : PCCP 24 (46) (2022)
Yiwei Liu, Cheng Zhang, Zhonghua Liu, Donald G Truhlar, Ying Wang, Xiao He
Supervised learning of a chemistry functional with damped dispersion. Nature computational science 3 (1) (2022)
Yiwei Liu, Cheng Zhang, Zhonghua Liu, Donald G Truhlar, Ying Wang, Xiao He
Supervised learning of a chemistry functional with damped dispersion. Nature computational science 3 (1) (2022)
Ao Hu, Jing-Zan Zhang, Jie Wang, Chen-Chen Li, Meng Yuan, Gang Deng, Zi-Cun Lin, Zhi-Ping Qiu, Hu-Yue Liu, Xian-Wei Wang, Peng-Cheng Wei, Xiao He, Xiaolu Zhao, Wen-Wei Qiu, Bao- Liang Song
Cholesterylation of Smoothened is a calcium-accelerated autoreaction involving an intramolecular ester intermediate. Cell research 32 (3) (2022)
Sijin Chen, Xiaoyan Ding, Chao Sun, Fei Wang, Xiao He, Anthony Watts, Xin Zhao
Archaeal Lipids Regulating the Trimeric Structure Dynamics of Bacteriorhodopsin for Efficient Proton Release and Uptake. International journal of molecular sciences 23 (13) (2022)
Yiwei Liu, Cheng Zhang, Zhonghua Liu, Donald G Truhlar, Ying Wang, Xiao He
Supervised learning of a chemistry functional with damped dispersion. Nature computational science 3 (1) (2022)
Cheng Zhang, Pragya Verma, Jiaxu Wang, Yiwei Liu, Xiao He, Ying Wang, Donald G Truhlar, Zhonghua Liu
Performance of Screened-Exchange Functionals for Band Gaps and Lattice Constants of Crystals. Journal of chemical theory and computation (2022)
Yiwei Liu, Cheng Zhang, Zhonghua Liu, Donald G Truhlar, Ying Wang, Xiao He
Supervised learning of a chemistry functional with damped dispersion. Nature computational science 3 (1) (2022)
Tong Li, Lan Yu, Jingfang Sun, Jin-Feng Liu, Xiao He
Ionization of D571 Is Coupled with SARS-CoV-2 Spike Up/Down Equilibrium Revealing the pH-Dependent Allosteric Mechanism of Receptor-Binding Domains. The journal of physical chemistry. B 126 (26) (2022)
Yuxiao Mei, Qi-Wei Zhang, Qingyi Gu, Zhichao Liu, Xiao He, Yang Tian
Pillar[5]arene-Based Fluorescent Sensor Array for Biosensing of Intracellular Multi-neurotransmitters through Host-Guest Recognitions. Journal of the American Chemical Society 144 (5) (2022)
Cheng Zhang, Pragya Verma, Jiaxu Wang, Yiwei Liu, Xiao He, Ying Wang, Donald G Truhlar, Zhonghua Liu
Performance of Screened-Exchange Functionals for Band Gaps and Lattice Constants of Crystals. Journal of chemical theory and computation 19 (1) (2022)
N Fabian Kleimeier, Yiwei Liu, Andrew M Turner, Leslie A Young, Chih-Hao Chin, Ralf I Kaiser, Xiao He, Jen-Iu Lo, Bing-Ming Cheng, Ralf I Kaiser
Excited state photochemically driven surface formation of benzene from acetylene ices on Pluto and in the outer solar system. Physical chemistry chemical physics : PCCP 24 (3) (2022)
Cheng Zhang, Pragya Verma, Jiaxu Wang, Yiwei Liu, Xiao He, Ying Wang, Donald G Truhlar, Zhonghua Liu
Performance of Screened-Exchange Functionals for Band Gaps and Lattice Constants of Crystals. Journal of chemical theory and computation 19 (1) (2022)
Jin-Feng Liu, Jinggang Lan, Xiao He
Toward High-level Machine Learning Potential for Water Based on Quantum Fragmentation and Neural Networks. The journal of physical chemistry. A 126 (24) (2022)
Yuxiao Mei, Zhichao Liu, Meijun Liu, Jiacheng Gong, Xiao He, Qi-Wei Zhang, Yang Tian
Two-photon fluorescence imaging and ratiometric quantification of mitochondrial monoamine oxidase-A in neurons. Chemical communications (Cambridge, England) 58 (46) (2022)
Jingxiao Bao, Xiao He, John Zenghui Zhang
DeepBSP-a Machine Learning Method for Accurate Prediction of Protein-Ligand Docking Structures. Journal of chemical information and modeling 61 (5) (2021)
Danhua Dai, Xian-Wei Wang, Yiwei Liu, Xiao-Liang Yang, Clemens Glaubitz, Vasyl Denysenkov, Xiao He, Thomas F Prisner, Jiafei Mao
Room-temperature dynamic nuclear polarization enhanced NMR spectroscopy of small biological molecules in water. Nature communications 12 (1) (2021)
Bo Long, Ying Wang, Yu Xia, Xiao He, Junwei Lucas Bao, Donald G Truhlar
Atmospheric Kinetics: Bimolecular Reactions of Carbonyl Oxide by a Triple-Level Strategy. Journal of the American Chemical Society 143 (22) (2021)
Xian-Wei Wang, Xilong Li, Xiao He, John Zenghui Zhang
A fixed multi-site interaction charge model for an accurate prediction of the QM/MM interactions. Physical chemistry chemical physics : PCCP 23 (37) (2021)
Chenfei Shen, Xinsheng Jin, William J Glover, Xiao He
Accurate Prediction of Absorption Spectral Shifts of Proteorhodopsin Using a Fragment-Based Quantum Mechanical Method. Molecules (Basel, Switzerland) 26 (15) (2021)
Jin-Feng Liu, Jinrong Yang, Xiao Cheng Zeng, Sotiris S Xantheas, Kiyoshi Yagi, Xiao He
Towards complete assignment of the infrared spectrum of the protonated water cluster H+(H2O)21. Nature communications 12 (1) (2021)
Jin-Feng Liu, Xiao He
QM Implementation in Drug Design: Does It Really Help? Methods in molecular biology (Clifton, N.J.) 2114 (2021)
Sijin Chen, Xiaoyan Ding, Chao Sun, Anthony Watts, Xiao He, Xin Zhao
Dynamic Coupling of Tyrosine 185 with the Bacteriorhodopsin Photocycle, as Revealed by Chemical Shifts, Assisted AF-QM/MM Calculations and Molecular Dynamic Simulations. International journal of molecular sciences 22 (24) (2021)
Xinxin Zhao, Peng Zhang, Yaqi Li, Saizhi Wu, Fengjiao Li, Ying Wang, Songping Liang, Xiao He, Youlin Zeng, Zhonghua Liu
Glucose-Lipopeptide Conjugates Reveal the Role of Glucose Modification Position in Complexation and the Potential of Malignant Melanoma Therapy. Journal of medicinal chemistry 64 (15) (2021)
Man Shi, Xinsheng Jin, Zheng Wan, Xiao He
Automated fragmentation quantum mechanical calculation of 13C and 1H chemical shifts in molecular crystals. The Journal of chemical physics 154 (6) (2021)
Jin-Feng Liu, Yanqing Liu, Jinrong Yang, Xiao Cheng Zeng, Xiao He
Directional Proton Transfer in the Reaction of the Simplest Criegee Intermediate with Water Involving the Formation of Transient H3O. The journal of physical chemistry letters 12 (13) (2021)
Ying Wang, Pragya Verma, Lujia Zhang, Yaqi Li, Zhonghua Liu, Donald G Truhlar, Xiao He
M06-SX screened-exchange density functional for chemistry and solid-state physics. Proceedings of the National Academy of Sciences of the United States of America 117 (5) (2020)
Zhilong Wang, Yanqiang Han, Jin-Jin Li, Xiao He
Combining the Fragmentation Approach and Neural Network Potential Energy Surfaces of Fragments for Accurate Calculation of Protein Energy. The journal of physical chemistry. B 124 (15) (2020)
Xinsheng Jin, William J Glover, Xiao He
Fragment Quantum Mechanical Method for Excited States of Proteins: Development and Application to the Green Fluorescent Protein. Journal of chemical theory and computation 16 (8) (2020)
Wei Zhang, Jinfeng Liu, Xinsheng Jin, Xinggui Gu, Xiao Cheng Zeng, Xiao He, Hui Li
Quantitative Prediction of Aggregation-Induced Emission: A Full Quantum Mechanical Approach to the Optical Spectra. Angewandte Chemie (International ed. in English) 59 (28) (2020)
Jingxiao Bao, Xiao He, John Zenghui Zhang
Development of a New Scoring Function for Virtual Screening: APBScore. Journal of chemical information and modeling 60 (12) (2020)
Pragya Verma, Ying Wang, Soumen Ghosh, Xiao He, Donald G Truhlar
Revised M11 Exchange-Correlation Functional for Electronic Excitation Energies and Ground-State Properties. The journal of physical chemistry. A 123 (13) (2019)
Mingyuan Xu, Xiao He, Tong Zhu, John Zenghui Zhang
A Fragment Quantum Mechanical Method for Metalloproteins. Journal of chemical theory and computation 15 (2) (2019)
Lei Huang, Yanqiang Han, Xiao He, Jin-Jin Li
Ab initio-enabled phase transition prediction of solid carbon dioxide at ultra-high temperatures. RSC advances 10 (1) (2019)
Jin-Feng Liu, Haitao Sun, William J Glover, Xiao He
Prediction of Excited-State Properties of Oligoacene Crystals Using Fragment-Based Quantum Mechanical Method. The journal of physical chemistry. A 123 (26) (2019)
Jiafei Mao, Victoria Aladin, Xinsheng Jin, Alexander J Leeder, Lynda J Brown, Richard C D Brown, Xiao He, Björn Corzilius, Clemens Glaubitz
Exploring Protein Structures by DNP-Enhanced Methyl Solid-State NMR Spectroscopy. Journal of the American Chemical Society 141 (50) (2019)
Pragya Verma, Benjamin G Janesko, Ying Wang, Xiao He, Giovanni Scalmani, Michael J Frisch, Donald G Truhlar
M11plus: A Range-Separated Hybrid Meta Functional with Both Local and Rung-3.5 Correlation Terms and High Across-the-Board Accuracy for Chemical Applications. Journal of chemical theory and computation 15 (9) (2019)
Jin-Feng Liu, John Zenghui Zhang, Xiao He
Probing the Ion-Specific Effects at the Water/Air Interface and Water-Mediated Ion Pairing in Sodium Halide Solution with Ab Initio Molecular Dynamics. The journal of physical chemistry. B 122 (44) (2018)
Yaqian Wang, Jinfeng Liu, Jinjin Li, Xiao He
Fragment-based quantum mechanical calculation of protein-protein binding affinities. Journal of computational chemistry 39 (21) (2018)
Jin-Feng Liu, Jason Swails, John Zenghui Zhang, Xiao He, Adrian E Roitberg
A Coupled Ionization-Conformational Equilibrium Is Required To Understand the Properties of Ionizable Residues in the Hydrophobic Interior of Staphylococcal Nuclease. Journal of the American Chemical Society 140 (5) (2018)
Ying Wang, Pragya Verma, Xinsheng Jin, Donald G Truhlar, Xiao He
Revised M06 density functional for main-group and transition-metal chemistry. Proceedings of the National Academy of Sciences of the United States of America 115 (41) (2018)
Xian-Wei Wang, Xiao He
An Ab Initio QM/MM Study of the Electrostatic Contribution to Catalysis in the Active Site of Ketosteroid Isomerase. Molecules (Basel, Switzerland) 23 (10) (2018)
Jinfeng Liu, Lian-Wen Qi, John Zenghui Zhang, Xiao He
Fragment Quantum Mechanical Method for Large-Sized Ion-Water Clusters. Journal of chemical theory and computation 13 (5) (2017)
Xinsheng Jin, John Z H Zhang, Xiao He
Full QM Calculation of RNA Energy Using Electrostatically Embedded Generalized Molecular Fractionation with Conjugate Caps Method. The journal of physical chemistry. A 121 (12) (2017)
Jin-Feng Liu, Xiao He, John Z H Zhang, Lian-Wen Qi
Hydrogen-bond structure dynamics in bulk water: insights from ab initio simulations with coupled cluster theory. Chemical science 9 (8) (2017)
Junwei Lucas Bao, Ying Wang, Xiao He, Soumen Ghosh, Donald G Truhlar
Multiconfiguration Pair-Density Functional Theory Is Free From Delocalization Error. The journal of physical chemistry letters 8 (22) (2017)
Ying Wang, Xianwei Wang, Donald G Truhlar, Xiao He
How Well Can the M06 Suite of Functionals Describe the Electron Densities of Ne, Ne6+, and Ne8+? Journal of chemical theory and computation 13 (12) (2017)
Ying Wang, Xinsheng Jin, Haoyu S Yu, Donald G Truhlar, Xiao He
Revised M06-L functional for improved accuracy on chemical reaction barrier heights, noncovalent interactions, and solid-state physics. Proceedings of the National Academy of Sciences of the United States of America 114 (32) (2017)
Haoyu S Yu, Xiao He, Shaohong L Li, Donald G Truhlar
MN15: A Kohn-Sham global-hybrid exchange-correlation density functional with broad accuracy for multi-reference and single-reference systems and noncovalent interactions. Chemical science 7 (8) (2016)

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Publication Activity (10 Years)

Top Topics

Top Venues

Xiao He