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Journal of Computational Chemistry|September 25, 2004
Fast topological analysis of 2D and 3D grids of data: application to the atoms in molecule (AIM) and the electron localization function (ELF)Philippe Soler, Franck Fuster, Hilaire ChevreauJournal of Computational Chemistry|September 14, 2004
The effect of basis set superposition error on the convergence of intermolecular interaction energies for deprotonated complexesMasao MasamuraJournal 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 ZhangPageof 594