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The Journal of Chemical Physics|February 8, 2013
Pseudobond parameters for QM/MM studies involving nucleosides, nucleotides, and their analogsRobin Chaudret, Jerry M Parks, Weitao Yang
Proceedings of the National Academy of Sciences of the United States of America|September 12, 2018
Describing strong correlation with fractional-spin correction in density functional theoryNeil Qiang Su, Chen Li, Weitao Yang
JACS Au|July 5, 2022
Describing Chemical Reactivity with Frontier Molecular OrbitaletsJincheng Yu, Neil Qiang Su, Weitao Yang
The Journal of Chemical Physics|October 29, 2013
Dynamical second-order Bethe-Salpeter equation kernel: a method for electronic excitation beyond the adiabatic approximationDu Zhang, Stephan N Steinmann, Weitao Yang
The Journal of Physical Chemistry Letters|June 28, 2017
Accurate Quasiparticle Spectra from the T-Matrix Self-Energy and the Particle-Particle Random Phase ApproximationDu Zhang, Neil Qiang Su, Weitao Yang
The Journal of Chemical Physics|May 17, 2014
Exchange-correlation energy from pairing matrix fluctuation and the particle-particle random phase approximationHelen van Aggelen, Yang Yang, Weitao Yang
Journal of the American Chemical Society|December 2, 2004
Molecular conductance: chemical trends of anchoring groupsSan-Huang Ke, Harold U Baranger, Weitao Yang
The Journal of Chemical Physics|July 23, 2004
An efficient method for constructing nonorthogonal localized molecular orbitalsHuasheng Feng, Jiang Bian, Lemin Li, et al.
Journal of Chemical Theory and Computation|November 24, 2015
Density-Functional Errors in Alkanes: A Real-Space PerspectiveErin R Johnson, Julia Contreras-García, Weitao Yang
Science (New York, N.Y.)|August 9, 2008
Insights into current limitations of density functional theoryAron J Cohen, Paula Mori-Sánchez, Weitao Yang
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