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Shubin Liu
Shubin Liu
Dirección de correo verificada de email.unc.edu - Página principal
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Electrophilicity index
RG Parr, L Szentpály, S Liu
Journal of the American Chemical Society 121 (9), 1922-1924, 1999
58731999
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 123 (13), 3051-3054, 2011
14572011
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
5712013
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
4892013
Conceptual density functional theory and some recent developments
SB Liu
Acta Physico-Chimica Sinica 25 (3), 590-600, 2009
4672009
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
3492014
Steric effect: A quantitative description from density functional theory
S Liu
The Journal of chemical physics 126 (24), 244103, 2007
2272007
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
2072010
On the relationship between densities of Shannon entropy and Fisher information for atoms and molecules
S Liu
The Journal of chemical physics 126 (19), 191107, 2007
1672007
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
1632007
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), 1-18, 2020
1622020
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
1272014
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
1201996
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
1162012
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
1112010
Catalytic conjugate addition of allyl groups to styryl-activated enones
JD Sieber, S Liu, JP Morken
Journal of the American Chemical Society 129 (8), 2214-2215, 2007
1102007
Origin and nature of bond rotation barriers: a unified view
S Liu
The Journal of Physical Chemistry A 117 (5), 962-965, 2013
1072013
Dynamic behavior of chemical reactivity indices in density functional theory: A Bohn-Oppenheimer quantum molecular dynamics study
S Liu
Journal of Chemical Sciences 117 (5), 477-483, 2005
1052005
Toward Understanding the Nature of Internal Rotation Barriers with a New Energy Partition Scheme: Ethane and n-Butane
S Liu, N Govind
The Journal of Physical Chemistry A 112 (29), 6690-6699, 2008
1042008
Second-order density-functional description of molecules and chemical changes
S Liu, RG Parr
The Journal of chemical physics 106 (13), 5578-5586, 1997
1001997
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Artículos 1–20