Yi-Gui Wang, Chérif F. Matta, Nick Henry Werstiuk Comparison of localization and delocalization indices obtained with Hartree-Fock and conventional correlated methods: Effect of Coulomb correlation. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2003, v:24, n:14, pp:1720-1729 [Journal]
Chris Oostenbrink, Wilfred F. van Gunsteren Single-step perturbations to calculate free energy differences from unphysical reference states: Limits on size, flexibility, and character. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2003, v:24, n:14, pp:1730-1739 [Journal]
Frank Neese An improvement of the resolution of the identity approximation for the formation of the Coulomb matrix. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2003, v:24, n:14, pp:1740-1747 [Journal]
Alain Laederach, Peter J. Reilly Specific empirical free energy function for automated docking of carbohydrates to proteins. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2003, v:24, n:14, pp:1748-1757 [Journal]
Ramkumar Rajamani, Kevin J. Naidoo, Jiali Gao Implementation of an adaptive umbrella sampling method for the calculation of multidimensional potential of mean force of chemical reactions in solution. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2003, v:24, n:14, pp:1775-1781 [Journal]
Bülent Balta, Viktorya Aviyente Solvent effects on glycine. I. A supermolecule modeling of tautomerization via intramolecular proton transfer. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2003, v:24, n:14, pp:1789-1802 [Journal]