Electrophilicity index RG Parr, L Szentpály, S Liu Journal of the American Chemical Society 121 (9), 1922-1924, 1999 | 7040 | 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 | 1510 | 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 | 603 | 2013 |
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 | 562 | 2013 |
Conceptual density functional theory and some recent developments SB Liu Acta Physico-Chimica Sinica 25 (3), 590-600, 2009 | 537 | 2009 |
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 | 395 | 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 | 309 | 2020 |
Steric effect: A quantitative description from density functional theory S Liu The Journal of chemical physics 126 (24), 2007 | 284 | 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 | 208 | 2010 |
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 | 190 | 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 | 178 | 2014 |
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 | 176 | 2007 |
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 | 165 | 2019 |
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 | 141 | 2012 |
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 | 135 | 2022 |
Origin and nature of bond rotation barriers: a unified view S Liu The Journal of Physical Chemistry A 117 (5), 962-965, 2013 | 124 | 2013 |
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 | 124 | 2010 |
Expansions of the correlation-energy density functional E c [ρ] and its kinetic-energy component T c [ρ] in terms of homogeneous functionals S Liu, RG Parr Physical Review A 53 (4), 2211, 1996 | 123 | 1996 |
Second-order density-functional description of molecules and chemical changes S Liu, RG Parr The Journal of chemical physics 106 (13), 5578-5586, 1997 | 118 | 1997 |
Information-theoretic approach in density functional reactivity theory SB LIU Acta Physico-Chimica Sinica 32 (1), 98-118, 2016 | 116 | 2016 |