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The Journal of Physical Chemistry Letters|August 16, 2023
The Role of Self-Catalysis Induced by Co Doping in Nonaqueous Li-O2 BatteriesLixin Xiong, Neil Qiang Su, Wei-Hai FangThe Journal of Physical Chemistry Letters|January 22, 2021
The Role of Range-Separated Correlation in Long-Range Corrected Hybrid FunctionalsWenna Ai, Wei-Hai Fang, Neil Qiang SuThe Journal of Physical Chemistry Letters|February 14, 2022
Functional-Based Description of Electronic Dynamic and Strong Correlation: Old Issues and New InsightsWenna Ai, Wei-Hai Fang, Neil Qiang SuFaraday Discussions|October 21, 2020
Introductory lecture: when the density of the noninteracting reference system is not the density of the physical system in density functional theoryYe Jin, Neil Qiang Su, Zehua Chen, et al.The Journal of Physical Chemistry. A|December 28, 2018
Approximating Quasiparticle and Excitation Energies from Ground State Generalized Kohn-Sham CalculationsYuncai Mei, Chen Li, Neil Qiang Su, et al.Journal of Computational Chemistry|December 31, 2013
Perturbative treatment of anharmonic vibrational effects on bond distances: an extended Langevin dynamics methodTonghao Shen, Neil Qiang Su, Anan Wu, et al.Journal of Molecular Modeling|February 11, 2017
When does a functional correctly describe both the structure and the energy of the transition state?Neil Qiang Su, Pascal Pernot, Xin Xu, et al.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.The Journal of Physical Chemistry Letters|July 16, 2021
Handling Ensemble N-Representability Constraint in Explicit-by-Implicit MannerYi-Fan Yao, Wei-Hai Fang, Neil Qiang SuPhysical Review. B|September 20, 2023
Localized orbital scaling correction for periodic systemsAaron Mahler, Jacob Williams, Neil Qiang Su, et al.Pageof 19