| 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 | 361 | 1998 |
| 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, 9-63, 1999 | 269 | 1999 |
| 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 | 171 | 1998 |
| 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 | 150 | 2007 |
| 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 | 145 | 1998 |
| 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 | 129 | 2012 |
| VB2000: Pushing valence bond theory to new limits J Li, R McWeeny International journal of quantum chemistry 89 (4), 208-216, 2002 | 120 | 2002 |
| 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 | 104 | 2013 |
| 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 | 103 | 2000 |
| MIDI! basis set for silicon, bromine, and iodine J Li, CJ Cramer, DG Truhlar Theoretical Chemistry Accounts 99, 192-196, 1998 | 90 | 1998 |
| 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 | 72 | 1999 |
| 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 | 70 | 1999 |
| 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), 2009 | 57 | 2009 |
| GAMESOL–version 3.1 JD Xidos, J Li, T Zhu, GD Hawkins, JD Thompson, YY Chuang, PL Fast, ... University of Minnesota, Minneapolis, 2002 | 54 | 2002 |
| 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 | 48 | 1999 |
| 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 | 46 | 1999 |
| Reversible Binding of the HPLC6 Isoform of Type I Antifreeze Proteins to Ice Surfaces and the Antifreeze Mechanism Studied by Multiple Quantum Filtering− Spin Exchange NMR … Y Ba, J Wongskhaluang, J Li Journal of the American Chemical Society 125 (2), 330-331, 2003 | 45 | 2003 |
| New features that improve the pharmacophore tools from Accelrys J Sutter, J Li, A J. Maynard, A Goupil, T Luu, K Nadassy Current computer-aided drug design 7 (3), 173-180, 2011 | 43 | 2011 |
| A universal solvation model based on class IV charges and the intermediate neglect of differential overlap for the spectroscopy molecular orbital method J Li, T Zhu, CJ Cramer, DG Truhlar The Journal of Physical Chemistry A 104 (11), 2178-2182, 2000 | 43 | 2000 |
| Bioactive conformational generation of small molecules: a comparative analysis between force-field and multiple empirical criteria based methods F Bai, X Liu, J Li, H Zhang, H Jiang, X Wang, H Li BMC bioinformatics 11, 1-12, 2010 | 40 | 2010 |
Christopher J. CramerUL Research InstitutesVerified email at ul.org
