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The Journal of Chemical Physics|April 23, 2022
Combining localized orbital scaling correction and Bethe-Salpeter equation for accurate excitation energiesJiachen Li, Ye Jin, Neil Qiang Su, et al.Journal of Computational Chemistry|February 27, 2010
A gradient-directed Monte Carlo approach for protein designXiangqian Hu, Hao Hu, David N Beratan, et al.Physical Review. B|September 20, 2023
Localized orbital scaling correction for periodic systemsAaron Mahler, Jacob Williams, Neil Qiang Su, et al.The Journal of Chemical Physics|May 17, 2014
Linear-response time-dependent density-functional theory with pairing fieldsDegao Peng, Helen van Aggelen, Yang Yang, et al.Journal of Youth and Adolescence|July 8, 2024
Longitudinal Associations among Psychological Control, Positive and Negative Interactions, and Adolescents' Domain-Specific Disclosure to ParentsGe Song, Judith G SmetanaThe Journal of Chemical Physics|June 25, 2010
Time-dependent transport through molecular junctionsSan-Huang Ke, Rui Liu, Weitao Yang, et al.The Journal of Physical Chemistry. A|November 1, 2008
Molecular design of porphyrin-based nonlinear optical materialsShahar Keinan, Michael J Therien, David N Beratan, et al.The Journal of Chemical Physics|April 17, 2012
Analytical evaluation of Fukui functions and real-space linear response functionWeitao Yang, Aron J Cohen, Frank De Proft, et al.The Journal of Physical Chemistry Letters|February 28, 2025
Accurate Prediction of Core-Level Binding Energies from Ground-State Density Functional Calculations: The Importance of Localization and ScreeningJincheng Yu, Yuncai Mei, Zehua Chen, et al.Journal of Chemical Theory and Computation|July 25, 2018
Accurate Quantum Mechanical/Molecular Mechanical Calculations of Reduction Potentials in Azurin VariantsLin Shen, Xiancheng Zeng, Hao Hu, et al.Pageof 93