David Curcó, Carlos Alemán Performance of SuSi: A method for generating atomistic models of amorphous polymers based on a random search of energy minima. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2004, v:25, n:6, pp:790-798 [Journal]
Rochus Schmid Car-Parrinello simulations with a real space method. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2004, v:25, n:6, pp:799-812 [Journal]
Jun Zeng, Daiqian Xie Hydrogen bonding and solvent effects on the lowest 1(n, *) excitations of triazines in water. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2004, v:25, n:6, pp:813-822 [Journal]
Nohad Gresh, Sherif A. Kafafi, Jean-François Truchon, Dennis R. Salahub Intramolecular interaction energies in model alanine and glycine tetrapeptides. Evaluation of anisotropy, polarization, and correlation effects. A parallel ab initio HF/MP2, DFT, and polarizable molecular mechanics study. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2004, v:25, n:6, pp:823-834 [Journal]
Xiang-Yuan Li, Ke-Xiang Fu, Quan Zhu, Min-Hua Shan Continuous medium theory for nonequilibrium solvation: II. Interaction energy between solute charge and reaction field and single-sphere model for spectral shift. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2004, v:25, n:6, pp:835-842 [Journal]
Jinn-Moon Yang Development and evaluation of a generic evolutionary method for protein-ligand docking. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2004, v:25, n:6, pp:843-857 [Journal]