Perspective: Kohn-Sham density functional theory descending a staircase
Yu, Haoyu S, Li, Shaohong L, Truhlar, Donald G
Published in The Journal of chemical physics (07.10.2016)
Published in The Journal of chemical physics (07.10.2016)
Get more information
Journal Article
Franck–Condon Models for Simulating the Band Shape of Electronic Absorption Spectra
Li, Shaohong L, Truhlar, Donald G
Published in Journal of chemical theory and computation (13.06.2017)
Published in Journal of chemical theory and computation (13.06.2017)
Get full text
Journal Article
Model space diabatization for quantum photochemistry
Li, Shaohong L, Truhlar, Donald G, Schmidt, Michael W, Gordon, Mark S
Published in The Journal of chemical physics (14.02.2015)
Published in The Journal of chemical physics (14.02.2015)
Get more information
Journal Article
MN15: A Kohn-Sham global-hybrid exchange-correlation density functional with broad accuracy for multi-reference and single-reference systems and noncovalent interactions
Yu, Haoyu S, He, Xiao, Li, Shaohong L, Truhlar, Donald G
Published in Chemical science (Cambridge) (01.01.2016)
Published in Chemical science (Cambridge) (01.01.2016)
Get full text
Journal Article
Improving Rydberg Excitations within Time-Dependent Density Functional Theory with Generalized Gradient Approximations: The Exchange-Enhancement-for-Large-Gradient Scheme
Li, Shaohong L, Truhlar, Donald G
Published in Journal of chemical theory and computation (14.07.2015)
Published in Journal of chemical theory and computation (14.07.2015)
Get full text
Journal Article
Configuration Interaction-Corrected Tamm–Dancoff Approximation: A Time-Dependent Density Functional Method with the Correct Dimensionality of Conical Intersections
Li, Shaohong L, Marenich, Aleksandr V, Xu, Xuefei, Truhlar, Donald G
Published in The journal of physical chemistry letters (16.01.2014)
Published in The journal of physical chemistry letters (16.01.2014)
Get full text
Journal Article
Nonintuitive Diabatic Potential Energy Surfaces for Thioanisole
Li, Shaohong L, Xu, Xuefei, Hoyer, Chad E, Truhlar, Donald G
Published in The journal of physical chemistry letters (03.09.2015)
Published in The journal of physical chemistry letters (03.09.2015)
Get full text
Journal Article
Correction: MN15: A Kohn-Sham global-hybrid exchange-correlation density functional with broad accuracy for multi-reference and single-reference systems and noncovalent interactions
Yu, Haoyu S, He, Xiao, Li, Shaohong L, Truhlar, Donald G
Published in Chemical science (Cambridge) (01.09.2016)
Published in Chemical science (Cambridge) (01.09.2016)
Get full text
Journal Article
MN15: A Kohn-Sham global-hybrid exchange-correlation density functional with broad accuracy for multi-reference and single-reference systems and noncovalent interactionsElectronic supplementary information (ESI) available: Mean unsigned errors of Database 2015B for 84 functionals and geometries of databases ABDE13, S6x6, SBG31, and EE69. See DOI: 10.1039/c6sc00705h
Get full text
Journal Article
MN15: A Kohn–Sham global-hybrid exchange–correlation density functional with broad accuracy for multi-reference and single-reference systems and noncovalent interactions† †Electronic supplementary information (ESI) available: Mean unsigned errors of Database 2015B for 84 functionals and geometries of databases ABDE13, S6x6, SBG31, and EE69. See DOI: 10.1039/c6sc00705h
Yu, Haoyu S., He, Xiao, Li, Shaohong L., Truhlar, Donald G.
Published in Chemical science (Cambridge) (06.04.2016)
Published in Chemical science (Cambridge) (06.04.2016)
Get full text
Journal Article
MN15: A Kohn–Sham global-hybrid exchange–correlation density functional with broad accuracy for multi-reference and single-reference systems and noncovalent interactions
Yu, Haoyu S., He, Xiao, Li, Shaohong L., Truhlar, Donald G.
Published in Chemical science (Cambridge) (06.04.2016)
Get full text
Published in Chemical science (Cambridge) (06.04.2016)
Journal Article
Effects of heat treatment influencing factors on microstructure and mechanical properties of a low-carbon martensitic stainless bearing steel
Li, Shaohong, Yuan, Xiaohong, Jiang, Wen, Sun, Hudai, Li, Jun, Zhao, Kunyu, Yang, Maosheng
Published in Materials science & engineering. A, Structural materials : properties, microstructure and processing (27.05.2014)
Published in Materials science & engineering. A, Structural materials : properties, microstructure and processing (27.05.2014)
Get full text
Journal Article
Influence of deep cryogenic treatment on microstructure and evaluation by internal friction of a tool steel
Li, Shaohong, Deng, Lihui, Wu, Xiaochun, Min, Yong’an, Wang, Hongbin
Published in Cryogenics (Guildford) (01.11.2010)
Published in Cryogenics (Guildford) (01.11.2010)
Get full text
Journal Article