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Journal of Computational Chemistry|September 14, 2004
Kinetics and equilibrium of multicomponent adsorption on chiraly templated surfacesPaweł Szabelski, Julian TalbotJournal of Computational Chemistry|September 18, 2004
A hybrid approach combining energy density analysis with the interaction energy decomposition methodYoshiumi Kawamura, Hiromi NakaiJournal of Computational Chemistry|September 18, 2004
Using quaternions to calculate RMSDEvangelos A Coutsias, Chaok Seok, Ken A DillJournal of Computational Chemistry|April 30, 2004
Evaluation of the protein solvent-accessible surface using reduced representations in terms of critical points of the electron densityA Becue, N Meurice, L Leherte, et al.Journal of Computational Chemistry|April 30, 2004
Conformational energies for 2-substituted butanesKenneth B Wiberg, Yi-Gui WangJournal of Computational Chemistry|April 30, 2004
Multicut-HDMR with an application to an ionospheric modelGenyuan Li, Jacqueline Schoendorf, Tak-San Ho, et al.Journal of Computational Chemistry|April 30, 2004
A precise boundary element method for macromolecular transport propertiesSergio AragonJournal of Computational Chemistry|June 30, 2004
Fully quantum mechanical energy optimization for protein-ligand structureYun Xiang, Da W Zhang, John Z H ZhangJournal of Computational Chemistry|June 30, 2004
A fast pairlist-construction algorithm for molecular simulations under periodic boundary conditionsTim N Heinz, Philippe H HünenbergerJournal of Computational Chemistry|June 30, 2004
Application of ab initio theory to QSAR study of 1,4-dihydropyridine-based calcium channel blockers using GA-MLR and PC-GA-ANN proceduresBahram Hemmateenejad, Mohammad A Safarpour, Ramin Miri, et al.Pageof 598