Showing results (3761-3770 of 5,977) with videos related to
Sort By:
Pageof 598
Journal of Computational Chemistry|March 27, 2002
Qmd-plot: a graphical utility for rapid preliminary analysis of time series of fluctuating data, developed in the context of molecular dynamics simulationsSam Kalat, Geoff Mann, Jan HermansJournal of Computational Chemistry|March 27, 2002
Combined QM/MM study of the opsin shift in bacteriorhodopsinRamkumar Rajamani, Jiali GaoJournal of Computational Chemistry|April 2, 2002
MM3 parametrization of four- and five-coordinated rhenium complexes by a genetic algorithm--which factors influence the optimization performance?Thomas Strassner, Markus Busold, Wolfgang A HerrmannJournal of Computational Chemistry|April 2, 2002
Mechanism for large first hyperpolarizabilities of phosphonic acid stilbene derivativesPatrizia Calaminici, Karl Jug, Andreas M Köster, et al.Journal of Computational Chemistry|March 23, 2002
Ab initio and DFT studies on van der Waals trimers: the OCS.(CO2)2 complexesH Valdés, J A SordoJournal of Computational Chemistry|March 23, 2002
New space warping method for the simulation of large-scale macromolecular conformational changesKhuloud Jaqaman, Peter J OrtolevaJournal of Computational Chemistry|March 23, 2002
On the irrelevance of electrostatics for the crystal structures and polymorphism of long even n-alkanesJacco van de Streek, Paul Verwer, Piet Bennema, et al.Journal of Computational Chemistry|March 23, 2002
Oligovalent link atoms in embedding calculationsThomas Krüger, Alexander F SaxJournal of Computational Chemistry|April 12, 2002
Comprehensive relativistic ab initio and density functional theory studies on PtH, PtF, PtCl, and Pt(NH(3))(2)Cl(2)Wenjian Liu, Robert FrankeJournal of Computational Chemistry|April 12, 2002
Generate: a program for 3-D structure generation and conformational analysis of peptides and peptidomimeticsPatrick Bultinck, Stijn Augustynen, Hans W Hilbers, et al.Pageof 598