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The Journal of Physical Chemistry. A|April 21, 2015
Singlet-triplet energy gaps for diradicals from particle-particle random phase approximationYang Yang, Degao Peng, Ernest R Davidson, et al.Journal of Chemical Theory and Computation|April 13, 2022
Regularized Localized Molecular Orbitals in a Divide-and-Conquer Approach for Linear Scaling CalculationsLiang Peng, Daoling Peng, Feng Long Gu, et al.Faraday 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.Biophysical Journal|July 11, 2006
Simulating force-induced conformational transitions in polysaccharides with the SMD replica exchange methodZhenyu Lu, Hao Hu, Weitao Yang, et al.The Journal of Chemical Physics|April 20, 2005
Reaction path determination for quantum mechanical/molecular mechanical modeling of enzyme reactions by combining first order and second order "chain-of-replicas" methodsG Andrés Cisneros, Haiyan Liu, Zhenyu Lu, et al.Journal of Chemical Information and Modeling|January 17, 2015
Strategy to discover diverse optimal molecules in the small molecule universeChetan Rupakheti, Aaron Virshup, Weitao Yang, et al.The Journal of Physical Chemistry. A|January 5, 2007
Designing molecules with optimal properties using the linear combination of atomic potentials approach in an AM1 semiempirical frameworkShahar Keinan, Xiangqian Hu, David N Beratan, et al.The Journal of Chemical Physics|July 17, 2014
Tensor hypercontracted ppRPA: reducing the cost of the particle-particle random phase approximation from O(r(6)) to O(r(4))Neil Shenvi, Helen van Aggelen, Yang Yang, et al.Biochemistry|February 23, 2017
Three Pyrimidine Decarboxylations in the Absence of a CatalystCharles A Lewis, Lin Shen, Weitao Yang, et al.Journal of the American Chemical Society|August 21, 2003
Ab initio QM/MM study shows there is no general acid in the reaction catalyzed by 4-oxalocrotonate tautomeraseG Andrés Cisneros, Haiyan Liu, Yingkai Zhang, et al.Pageof 93