Jiabo Li
Jiabo Li
Nielsen, Sun Yat-sen University
E-mail confirmado em nielsen.com
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New class IV charge model for extracting accurate partial charges from wave functions
J Li, T Zhu, CJ Cramer, DG Truhlar
The Journal of Physical Chemistry A 102 (10), 1820-1831, 1998
3301998
Extension of the platform of applicability of the SM5. 42R universal solvation model
J Li, T Zhu, GD Hawkins, P Winget, DA Liotard, CJ Cramer, DG Truhlar
Theoretical Chemistry Accounts 103 (1), 9-63, 1999
2571999
Density functional solvation model based on CM2 atomic charges
T Zhu, J Li, GD Hawkins, CJ Cramer, DG Truhlar
The Journal of chemical physics 109 (20), 9117-9133, 1998
1591998
Universal reaction field model based on ab initio Hartree–Fock theory
J Li, GD Hawkins, CJ Cramer, DG Truhlar
Chemical Physics Letters 288 (2-4), 293-298, 1998
1361998
CAESAR: a new conformer generation algorithm based on recursive buildup and local rotational symmetry consideration
J Li, T Ehlers, J Sutter, S Varma-O'Brien, J Kirchmair
Journal of chemical information and modeling 47 (5), 1923-1932, 2007
1162007
VB2000: Pushing valence bond theory to new limits
J Li, R McWeeny
International journal of quantum chemistry 89 (4), 208-216, 2002
1032002
Two‐response‐time model based on CM2/INDO/S2 electrostatic potentials for the dielectric polarization component of solvatochromic shifts on vertical excitation energies
J Li, CJ Cramer, DG Truhlar
International Journal of Quantum Chemistry 77 (1), 264-280, 2000
972000
MIDI! basis set for silicon, bromine, and iodine
J Li, CJ Cramer, DG Truhlar
Theoretical Chemistry Accounts 99 (3), 192-196, 1998
881998
Protein–ligand-based pharmacophores: generation and utility assessment in computational ligand profiling
J Meslamani, J Li, J Sutter, A Stevens, HO Bertrand, D Rognan
Journal of chemical information and modeling 52 (4), 943-955, 2012
852012
Analytical energy gradients of a self-consistent reaction-field solvation model based on CM2 atomic charges
T Zhu, J Li, DA Liotard, CJ Cramer, DG Truhlar
The Journal of chemical physics 110 (12), 5503-5513, 1999
681999
Enhancing molecular shape comparison by weighted Gaussian functions
X Yan, J Li, Z Liu, M Zheng, H Ge, J Xu
Journal of chemical information and modeling 53 (8), 1967-1978, 2013
672013
A class IV charge model for molecular excited states
J Li, B Williams, CJ Cramer, DG Truhlar
The Journal of chemical physics 110 (2), 724-733, 1999
631999
Drug discovery: practices, processes, and perspectives
JJ Li, EJ Corey
John Wiley & Sons, 2013
582013
GAMESOL–version 3.1
JD Xidos, J Li, T Zhu, GD Hawkins, JD Thompson, YY Chuang, PL Fast, ...
University of Minnesota, Minneapolis, 2002
532002
AMSOL, version 6.5. 3
GD Hawkins, DJ Giesen, GC Lynch, CC Chambers, I Rossi, JW Storer, ...
University of Minnesota, Minneapolis, 1998
531998
Research in Astron
G Zhao, Y Zhao, YQ Chu, YP Jing, LC Deng
Astrophys.(RAA) 12 (723), 1, 2012
492012
Linear and nonlinear optical properties of a series of Ni-dithiolene derivatives
L Serrano-Andrés, A Avramopoulos, J Li, P Labéguerie, D Bégué, V Kellö, ...
The Journal of chemical physics 131 (13), 134312, 2009
472009
Performance Study of RPC Prototypes for the BESⅢ Muon Detector
YG XIE, JW ZHANG, Q LIU, JF HAN, S QIAN, N YAO, JB ZHAO, J CHEN, ...
高能物理与核物理 31 (1), 2007
462007
Accurate dipole moments from Hartree–Fock calculations by means of class IV charges
J Li, J Xing, CJ Cramer, DG Truhlar
The Journal of chemical physics 111 (3), 885-892, 1999
461999
Application of a universal solvation model to nucleic acid bases: Comparison of semiempirical molecular orbital theory, ab initio Hartree–Fock theory, and density functional theory
J Li, CJ Cramer, DG Truhlar
Biophysical chemistry 78 (1-2), 147-155, 1999
421999
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