Shubin Liu

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Paul W. AyersProfessor of Chemistry & Chemical Biology, McMaster University在 chemistry.mcmaster.ca 的電子郵件地址已通過驗證
Wei YouUniversity of North Carolina at Chapel Hill在 unc.edu 的電子郵件地址已通過驗證
Pratim Kumar ChattarajDistinguished Visiting Professor, Department of Chemistry, Birla Institute of Technology Mesra在 bitmesra.ac.in 的電子郵件地址已通過驗證
Wenbin LinJames Franck Professor, The University of Chicago在 uchicago.edu 的電子郵件地址已通過驗證
lee pedersenemeritus professor of chemistry, university of north carolina at chapel hill在 ad.unc.edu 的電子郵件地址已通過驗證
Laszlo von SzentpalyTheoretische Chemie, Universität Stuttgart在 theochem.uni-stuttgart.de 的電子郵件地址已通過驗證
Chung-Huan Li (李仲桓)Senior Application Engineer, SPEAG在 speag.com 的電子郵件地址已通過驗證
Ming LeiBeijing University of Chemical Technology在 mail.buct.edu.cn 的電子郵件地址已通過驗證
Shengqiang XiaoWuhan University of Technology在 whut.edu.cn 的電子郵件地址已通過驗證
James MorkenBoston College在 bc.edu 的電子郵件地址已通過驗證
Weitao YangPhilip Handler Professor, Department of Chemistry, Duke University在 duke.edu 的電子郵件地址已通過驗證
Christophe MorellUniversity of Lyon 1在 univ-lyon1.fr 的電子郵件地址已通過驗證
Ruiqin ZHANGCity University of Hong Kong在 cityu.edu.hk 的電子郵件地址已通過驗證
Dongho KimProfessor of Chemistry, Yonsei University在 yonsei.ac.kr 的電子郵件地址已通過驗證
ji-chang xiao中国科学院上海有机化学研究所在 sioc.ac.cn 的電子郵件地址已通過驗證
Alejandro Toro-LabbeLaboratorio de Química Teórica Computacional (QTC), Pontificia Universidad Catolica de Chile在 puc.cl 的電子郵件地址已通過驗證
Nikolay DokholyanG. Thomas Passananti Professor在 psu.edu 的電子郵件地址已通過驗證
Joshua SieberAssociate Professor, Virginia Commonwealth University在 vcu.edu 的電子郵件地址已通過驗證
Niri GovindPhysicist, Pacific Northwest National Laboratory在 pnnl.gov 的電子郵件地址已通過驗證
José L. GázquezProfessor of Chemistry, Universidad Autónoma Metropolitana-Iztapalapa在 xanum.uam.mx 的電子郵件地址已通過驗證

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Shubin Liu

University of North Carolina

在 email.unc.edu 的電子郵件地址已通過驗證 - 首頁

Density-based reactivity theory in DFT


標題按引用次數排序按年份排序按標題排序	引用次數引用次數	年份
Electrophilicity index RG Parr, L Szentpály, S Liu Journal of the American Chemical Society 121 (9), 1922-1924, 1999	7550	1999
Development of fluorinated benzothiadiazole as a structural unit for a polymer solar cell of 7% efficiency H Zhou, L Yang, AC Stuart, SC Price, S Liu, W You Angewandte Chemie International Edition 50 (13), 2995-2998, 2011	1534	2011
Fluorine substituents reduce charge recombination and drive structure and morphology development in polymer solar cells AC Stuart, JR Tumbleston, H Zhou, W Li, S Liu, H Ade, W You Journal of the American Chemical Society 135 (5), 1806-1815, 2013	622	2013
Conceptual density functional theory and some recent developments SB Liu Acta Physico-Chimica Sinica 25 (3), 590-600, 2009	596	2009
Highly porous and stable metal–organic frameworks for uranium extraction M Carboni, CW Abney, S Liu, W Lin Chemical Science 4 (6), 2396-2402, 2013	592	2013
A biomimetic copper water oxidation catalyst with low overpotential T Zhang, C Wang, S Liu, JL Wang, W Lin Journal of the American Chemical Society 136 (1), 273-281, 2014	413	2014
Conceptual density functional theory: status, prospects, issues P Geerlings, E Chamorro, PK Chattaraj, F De Proft, JL Gázquez, S Liu, ... Theoretical Chemistry Accounts 139 (2), 36, 2020	366	2020
Steric effect: A quantitative description from density functional theory S Liu The Journal of chemical physics 126 (24), 2007	306	2007
Donor− acceptor polymers incorporating alkylated dithienylbenzothiadiazole for bulk heterojunction solar cells: pronounced effect of positioning alkyl chains H Zhou, L Yang, S Xiao, S Liu, W You Macromolecules 43 (2), 811-820, 2010	210	2010
A comparative study to predict regioselectivity, electrophilicity and nucleophilicity with Fukui function and Hirshfeld charge B Wang, C Rong, PK Chattaraj, S Liu Theoretical Chemistry Accounts 138, 1-9, 2019	198	2019
On the relationship between densities of Shannon entropy and Fisher information for atoms and molecules S Liu The Journal of chemical physics 126 (19), 2007	197	2007
Information conservation principle determines electrophilicity, nucleophilicity, and regioselectivity S Liu, C Rong, T Lu The Journal of Physical Chemistry A 118 (20), 3698-3704, 2014	194	2014
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science AM Teale, T Helgaker, A Savin, C Adamo, B Aradi, AV Arbuznikov, ... Physical chemistry chemical physics 24 (47), 28700-28781, 2022	184	2022
Development, mechanism, and scope of the palladium-catalyzed enantioselective allene diboration HE Burks, S Liu, JP Morken Journal of the American Chemical Society 129 (28), 8766-8773, 2007	181	2007
Cavity-induced enantioselectivity reversal in a chiral metal–organic framework Brønsted acid catalyst M Zheng, Y Liu, C Wang, S Liu, W Lin Chemical Science 3 (8), 2623-2627, 2012	149	2012
Evaluating frontier orbital energy and HOMO/LUMO gap with descriptors from density functional reactivity theory Y Huang, C Rong, R Zhang, S Liu Journal of molecular modeling 23, 1-12, 2017	142	2017
Origin and nature of bond rotation barriers: a unified view S Liu The Journal of Physical Chemistry A 117 (5), 962-965, 2013	130	2013
Estimation of molecular acidity via electrostatic potential at the nucleus and valence natural atomic orbitals S Liu, LG Pedersen The Journal of Physical Chemistry A 113 (15), 3648-3655, 2009	127	2009
Development of a polarizable force field using multiple fluctuating charges per atom DX Zhao, C Liu, FF Wang, CY Yu, LD Gong, SB Liu, ZZ Yang Journal of Chemical Theory and Computation 6 (3), 795-804, 2010	126	2010
Information-theoretic approach in density functional reactivity theory SB LIU Acta Physico-Chimica Sinica 32 (1), 98-118, 2016	123	2016

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