Noncovalent Interaction Analysis in Fluctuating Environments
Wu, Pan, Chaudret, Robin, Hu, Xiangqian, Yang, Weitao
Published in Journal of chemical theory and computation (14.05.2013)
Published in Journal of chemical theory and computation (14.05.2013)
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Journal Article
Layer-Dependent Electrocatalysis of MoS2 for Hydrogen Evolution
Yu, Yifei, Huang, Sheng-Yang, Li, Yanpeng, Steinmann, Stephan N, Yang, Weitao, Cao, Linyou
Published in Nano letters (12.02.2014)
Published in Nano letters (12.02.2014)
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Journal Article
Highly Efficient Sn/Pb Binary Perovskite Solar Cell via Precursor Engineering: A Two‐Step Fabrication Process
Lian, Xiaomei, Chen, Jiehuan, Zhang, Yingzhu, Qin, Minchao, Li, Jun, Tian, Shuoxun, Yang, Weitao, Lu, Xinhui, Wu, Gang, Chen, Hongzheng
Published in Advanced functional materials (01.02.2019)
Published in Advanced functional materials (01.02.2019)
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Journal Article
Plasmon-Enhanced Catalysis: Distinguishing Thermal and Nonthermal Effects
Zhang, Xiao, Li, Xueqian, Reish, Matthew E, Zhang, Du, Su, Neil Qiang, Gutiérrez, Yael, Moreno, Fernando, Yang, Weitao, Everitt, Henry O, Liu, Jie
Published in Nano letters (14.03.2018)
Published in Nano letters (14.03.2018)
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Journal Article
Analysis of Hydrogen-Bond Interaction Potentials from the Electron Density: Integration of Noncovalent Interaction Regions
Contreras-García, Julia, Yang, Weitao, Johnson, Erin R
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (17.11.2011)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (17.11.2011)
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Journal Article
ROS-Targeted Depression Therapy via BSA-Incubated Ceria Nanoclusters
Fu, Shengyang, Chen, Huili, Yang, Weitao, Xia, Xiaohuan, Zhao, Shu, Xu, Xiaonan, Ai, Pu, Cai, Qingyuan, Li, Xiangyu, Wang, Yi, Zhu, Jie, Zhang, Bingbo, Zheng, Jialin C.
Published in Nano letters (08.06.2022)
Published in Nano letters (08.06.2022)
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Journal Article
Many-electron self-interaction error in approximate density functionals
Mori-Sánchez, Paula, Cohen, Aron J, Yang, Weitao
Published in The Journal of chemical physics (28.11.2006)
Published in The Journal of chemical physics (28.11.2006)
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Journal Article
Improving band gap prediction in density functional theory from molecules to solids
Zheng, Xiao, Cohen, Aron J, Mori-Sánchez, Paula, Hu, Xiangqian, Yang, Weitao
Published in Physical review letters (07.07.2011)
Published in Physical review letters (07.07.2011)
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Journal Article
Phase-corrected surface hopping: correcting the phase evolution of the electronic wavefunction
Shenvi, Neil, Subotnik, Joseph E, Yang, Weitao
Published in The Journal of chemical physics (14.07.2011)
Published in The Journal of chemical physics (14.07.2011)
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Journal Article
Local scaling correction for reducing delocalization error in density functional approximations
Li, Chen, Zheng, Xiao, Cohen, Aron J, Mori-Sánchez, Paula, Yang, Weitao
Published in Physical review letters (06.02.2015)
Published in Physical review letters (06.02.2015)
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Journal Article
Higher-order split operator schemes for solving the Schrodinger equation in the time-dependent wave packet method: applications to triatomic reactive scattering calculations
ZHIGANG SUN, WEITAO YANG, ZHANG, Dong H
Published in Physical chemistry chemical physics : PCCP (14.02.2012)
Published in Physical chemistry chemical physics : PCCP (14.02.2012)
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Journal Article
Quantum mechanics/molecular mechanics minimum free-energy path for accurate reaction energetics in solution and enzymes: sequential sampling and optimization on the potential of mean force surface
Hu, Hao, Lu, Zhenyu, Parks, Jerry M, Burger, Steven K, Yang, Weitao
Published in The Journal of chemical physics (21.01.2008)
Published in The Journal of chemical physics (21.01.2008)
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Journal Article
Fitting Molecular Electrostatic Potentials from Quantum Mechanical Calculations
Hu, Hao, Lu, Zhenyu, Yang, Weitao
Published in Journal of chemical theory and computation (01.05.2007)
Published in Journal of chemical theory and computation (01.05.2007)
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Journal Article