Wei-Hao Song

发表

Ab initio investigation of water clusters (H2O)n (n = 2–34)

Ping Qian, Wei-Hao Song, Li-nan Lu, 2010 .

Ionic solvation studied by image-charge reaction field method.

D. Jacobs, W. Cai, Yuchun Lin, 2011, The Journal of chemical physics.

SERS Spectroscopy Used To Study an Adsorbate on a Nanoscale Thin Film of CuO Coated with Ag

Weidong Ruan, J. Lombardi, Jingxiu Yang, 2009 .

First-Principles Calculation of13C NMR Chemical Shifts of Infinite Single-Walled Carbon Nanotubes : New Data for Large-Diameter and Four-Helical Nanotubes

Dapeng Yu, Jing Zhou, Zhengxiang Gao, 2008 .

Static and Optical Transverse and Longitudinal Screened Polarizabilities of Boron Nitride Nanotubes

Zhengxiang Gao, W. Mei, Lu Wang, 2007 .

A review on Cadmium Exposure in the Population and Intervention Strategies Against Cadmium Toxicity

Lei Huang, Yunhui Li, Wei-Hao Song, 2021, Bulletin of Environmental Contamination and Toxicology.

Segregation and coalescence behavior of helium bubbles in tungsten

Wei-Hao Song, Zhichao Guo, Wenqiang Dang, 2021 .

Encapsulations of La@C82 and La2@C80 inside single-walled boron nitride nanotubes

Zhengxiang Gao, S. Nagase, H. Ye, 2005 .

Host-guest Complexation of Monoanionic and Dianionic Guests with Polycationic Pillararene Host: Same Two-step Mechanism but Striking Difference in Rate Upon Inclusion.

Wei-Hao Song, Lingyun Wang, Hao Tang, 2020, The journal of physical chemistry letters.

Inorganic polysulfides: Quantum chemistry study and biological implications

Wei-Hao Song, Ching‐Han Hu, 2020 .

Optical Absorption Spectra and Polarizabilities of Silicon Carbide Nanotubes: A First Principles Study

Jing Zhou, R. Qin, Zhengxiang Gao, 2007 .

First-principles calculations of structural, electronic, magnetic and elastic properties of Mo2FeB2 under high pressure

Zhansheng Lu, Benyuan Ma, Wei-Hao Song, 2018, Royal Society Open Science.

Structural, electronic and magnetic properties of NM-doped Ni clusters (NM=Cu, Ag, Au)

Wei Zhang, Wei-Hao Song, Zhe Fu, 2019 .

First-principles study of the magnesiation of olivines: redox reaction mechanism, electrochemical and thermodynamic properties

C. Ling, M. Matsui, D. Banerjee, 2012 .

Structures and Electronic Properties of Ni–Al Alloy Clusters from First-Principles Calculations

Xiumei Xu, Chaozheng He, C. Pu, 2017, Journal of Cluster Science.

Energetics, kinetics and dynamics of self-interstitial clusters in bcc tungsten

Wei-Hao Song, Wenqiang Dang, Bingling He, 2019, Molecular Simulation.

Study of water adsorption on graphene edges

Peng Liu, Wei-Hao Song, Lijuan Jiang, 2018, RSC advances.

Theoretical investigation of gas phase ethanol–(water)n (n = 1–5) clusters and comparison with gas phase pure water clusters (water)n (n = 2–6)

Chao Zhang, Yanli Ding, Guang Han, 2013 .

First-principles study of He trapping in η-Fe 2 C

Wei-Hao Song, Bin Wang, Z. Tian, 2016 .

First-principles study of medium-scale X-atoms-doped nickel clusters Nin−1X (X = C, Si, Ge, Sn, Pb; n = 19–23)

Wei Zhang, Wei-Hao Song, Zhe Fu, 2020, Theoretical Chemistry Accounts.

STRUCTURAL AND ELECTRONIC PROPERTIES OF ONE DIMENSIONAL KxC60 CRYSTAL ENCAPSULATED IN CARBON NANOTUBE

Z. Gu, Zujin Shi, Zhengxiang Gao, 2007 .

Study of water clusters in the n = 2–34 size regime, based on the ABEEM/MM model

Ping Qian, Wei-Hao Song, Li-nan Lu, 2009 .

Electronic structures of semiconducting double-walled carbon nanotubes: Important effect of interlay interaction

Zhengxiang Gao, S. Nagase, H. Ye, 2005 .

Computational screening of 3d transition metal atoms anchored on the defective graphene for efficient electrocatalytic N2 fixation.

Chaozheng He, Ling-Zhi Fu, Yongliang Guo, 2021, Chemphyschem : a European journal of chemical physics and physical chemistry.

Carbon‐Coordinated Single Cr Site for Efficient Electrocatalytic N2 Fixation

Chaozheng He, Ling-Zhi Fu, Wei-Hao Song, 2021, Advanced Theory and Simulations.

First-principles study on Fe2B2 as efficient catalyst for nitrogen reduction reaction

Chaozheng He, Ling-Zhi Fu, Yongliang Guo, 2021 .

First-principles study of hydrogen-passivated single-crystalline silicon nanotubes: electronic and optical properties

Jing Lu, Lin Lai, Dapeng Yu, 2007 .

The Release of Indium Ion Derived from Epithelial Cells and Macrophages Solubilization Contribute to Pneumotoxicity Induced by Indium Oxide Nanoparticles.

Yunhui Li, F. Zhao, Wei-Hao Song, 2021, Journal of nanoscience and nanotechnology.

First-principles study on the structures and electronic properties of graphene-supported Nin (n = 1–6) clusters

Wei-Hao Song, Bin Wang, Ying Wang, 2018, Molecular Simulation.

Theoretical study on the interaction of pristine, defective and strained graphene with Fen and Nin (n = 13, 38, 55) clusters

Ying Wang, Zhijian Wu, Wei-Hao Song, 2013 .

Density functional theory study of transition metal single-atoms anchored on graphyne as efficient electrocatalysts for the nitrogen reduction reaction.

Chaozheng He, Ling-Zhi Fu, Yongliang Guo, 2021, Physical chemistry chemical physics : PCCP.

First-Principles Study on Nitrobenzene-Doped Graphene as a Metal-Free Electrocatalyst for Oxygen Reduction Reaction

Ying Wang, Zhijian Wu, Wei-Hao Song, 2016 .

Doped fullerene as a metal-free electrocatalyst for oxygen reduction reaction: A first-principles study

Ying Wang, Zhijian Wu, Wei-Hao Song, 2017 .

Structural and electronic properties of fluorinated boron nitride nanotubes.

Zhengxiang Gao, S. Nagase, W. Mei, 2006, The journal of physical chemistry. B.

Adsorption of nucleic acid bases and amino acids on single-walled carbon and boron nitride nanotubes: a first-principles study.

Jiaxin Zheng, Jing Zhou, R. Qin, 2009, Journal of nanoscience and nanotechnology.

Electronic and elastic properties of TixZr1-xN

Wei-Hao Song, Bin Wang, Z. Wang, 2016 .