Zhang Igor Ying (张颖)
Zhang Igor Ying (张颖)
Department of Chemistry, Fudan University
Verified email at fudan.edu.cn - Homepage
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Cited by
Cited by
Year
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ...
Molecular Physics 113 (2), 184-215, 2015
16502015
Doubly hybrid density functional for accurate descriptions of nonbond interactions, thermochemistry, and thermochemical kinetics
Y Zhang, X Xu, WA Goddard
Proc. Natl. Acad. Sci. USA 106 (13), 4963-4968, 2009
2792009
Understanding band gaps of solids in generalized Kohn–Sham theory
JP Perdew, W Yang, K Burke, Z Yang, EKU Gross, M Scheffler, ...
Proceedings of the National Academy of Sciences 114 (11), 2801-2806, 2017
1742017
Extending the reliability and applicability of B3LYP
IY Zhang, J Wu, X Xu
Chemical communications 46 (18), 3057-3070, 2010
1262010
A fast doubly hybrid density functional method close to chemical accuracy using a local opposite spin ansatz
IY Zhang, X Xu, Y Jung, WA Goddard
Proceedings of the National Academy of Sciences 108 (50), 19896-19900, 2011
1152011
OPBE: A promising density functional for the calculation of nuclear shielding constants
Y Zhang, AA Wu, X Xu, YJ Yan
CHEMICAL PHYSICS LETTERS 421 (4-6), 383-388, 2006
1112006
Doubly hybrid density functional for accurate description of thermochemistry, thermochemical kinetics and nonbonded interactions
IY Zhang, X Xu
International Reviews in Physical Chemistry 30 (1), 115-160, 2011
1082011
Doubly hybrid density functional xDH-PBE0 from a parameter-free global hybrid model PBE0
IY Zhang, NQ Su, EAG Bremond, C Adamo, X Xu
The Journal of chemical physics 136 (17), 174103, 2012
832012
Systematic studies on the computation of nuclear magnetic resonance shielding constants and chemical shifts: The density functional models
A Wu, Y Zhang, Y Yan
Journal of Computational Chemistry 28 (15), 2431–2442, 2007
832007
Geometric Dependence of the B3LYP-Predicted Magnetic Shieldings and Chemical Shifts†
Y Zhang, A Wu, X Xu, Y Yan
The Journal of Physical Chemistry A 111 (38), 9431-9437, 2007
722007
Numeric atom-centered-orbital basis sets with valence-correlation consistency from H to Ar
IY Zhang, X Ren, P Rinke, V Blum, M Scheffler
New Journal of Physics 15 (12), 123033, 2013
702013
Accurate localized resolution of identity approach for linear-scaling hybrid density functionals and for many-body perturbation theory
AC Ihrig, J Wieferink, IY Zhang, M Ropo, X Ren, P Rinke, M Scheffler, ...
New Journal of Physics 17 (9), 093020, 2015
662015
Basis set dependence of the doubly hybrid XYG3 functional
IY Zhang, Y Luo, X Xu
The Journal of chemical physics 133 (10), 104105, 2010
632010
XYG3s: Speedup of the XYG3 fifth-rung density functional with scaling-all-correlation method
IY Zhang, Y Luo, X Xu
The Journal of chemical physics 132 (19), 194105, 2010
512010
Reaching a uniform accuracy for complex molecular systems: long-range-corrected XYG3 doubly hybrid density functional
IY Zhang, X Xu
The Journal of Physical Chemistry Letters 4 (10), 1669-1675, 2013
502013
Enforcing the linear behavior of the total energy with hybrid functionals: Implications for charge transfer, interaction energies, and the random-phase approximation
V Atalla, IY Zhang, OT Hofmann, X Ren, P Rinke, M Scheffler
Physical Review B 94 (3), 035140, 2016
482016
Trends in R−X Bond Dissociation Energies (R = Me, Et, i-Pr, t-Bu, X = H, Me, Cl, OH)
IY Zhang, J Wu, Y Luo, X Xu
Journal of chemical theory and computation 6 (5), 1462-1469, 2010
372010
Nonfitting protein–ligand interaction scoring function based on first‐principles theoretical chemistry methods: Development and application on kinase inhibitors
L Rao, IY Zhang, W Guo, L Feng, E Meggers, X Xu
Journal of computational chemistry 34 (19), 1636-1646, 2013
332013
The X1s method for accurate bond dissociation energies
J Wu, I Ying Zhang, X Xu
ChemPhysChem 11 (12), 2561-2567, 2010
322010
XYG3 and XYGJ-OS performances for noncovalent binding energies relevant to biomolecular structures
IY Zhang, X Xu
Physical Chemistry Chemical Physics 14 (36), 12554-12570, 2012
302012
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