Showing results (131-140 of 927) with videos related to
Sort By:
Pageof 93
Physical Review Letters|June 4, 2008
Localization and delocalization errors in density functional theory and implications for band-gap predictionPaula Mori-Sánchez, Aron J Cohen, Weitao YangThe Journal of Chemical Physics|May 2, 2009
Calculating solution redox free energies with ab initio quantum mechanical/molecular mechanical minimum free energy path methodXiancheng Zeng, Hao Hu, Xiangqian Hu, et al.The Journal of Chemical Physics|November 2, 2010
Spin-state splittings, highest-occupied-molecular-orbital and lowest-unoccupied-molecular-orbital energies, and chemical hardnessErin R Johnson, Weitao Yang, Ernest R DavidsonThe Journal of Chemical Physics|December 6, 2006
Many-electron self-interaction error in approximate density functionalsPaula Mori-Sánchez, Aron J Cohen, Weitao YangPhysical Review Letters|October 13, 2007
Contact transparency of nanotube-molecule-nanotube junctionsSan-Huang Ke, Harold U Baranger, Weitao YangJournal of Chemical Theory and Computation|November 27, 2015
Second-Order Perturbation Theory with Fractional Charges and Fractional SpinsAron J Cohen, Paula Mori-Sánchez, Weitao YangPhysical Chemistry Chemical Physics : PCCP|November 21, 2014
Analytic gradients, geometry optimization and excited state potential energy surfaces from the particle-particle random phase approximationDu Zhang, Degao Peng, Peng Zhang, et al.The Journal of Physical Chemistry Letters|June 14, 2016
Conical Intersections from Particle-Particle Random Phase and Tamm-Dancoff ApproximationsYang Yang, Lin Shen, Du Zhang, et al.The Journal of Biological Chemistry|August 28, 2014
Chaperones rescue luciferase folding by separating its domainsZackary N Scholl, Weitao Yang, Piotr E MarszalekEuropean Biophysics Journal : EBJ|March 13, 2026
Evidence from computational infrared spectroscopy against vibrational detection of propionate by human olfactory receptor OR51E2Jacob Z Williams, Piotr E Marszalek, Weitao YangPageof 93