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Journal of Computational Chemistry|November 7, 2008
A combined semiempirical-DFT study of oligomers within the finite-chain approximation, evolution from oligomers to polymersPedro A DerosaJournal of Computational Chemistry|November 11, 2008
Estimation on the intramolecular 10-membered ring N-H...O=C hydrogen-bonding energies in glycine and alanine peptidesYan Zhang, Chang-Sheng WangJournal of Computational Chemistry|December 8, 2011
Modeling nonlinear optics of nanosystems with sum-over-states modelWei Quan TianJournal of Computational Chemistry|December 7, 2011
Alder-ene reaction: aromaticity and activation-strain analysisIsrael Fernández, F Matthias BickelhauptJournal of Computational Chemistry|November 22, 2011
Analysis of lipid surface area in protein-membrane systems combining Voronoi tessellation and Monte Carlo integration methodsTakaharu Mori, Fumiko Ogushi, Yuji SugitaJournal of Computational Chemistry|May 3, 2012
Stereoselection in the Diels-Alderase ribozyme: a molecular dynamics studyTomasz Bereźniak, Andres Jäschke, Jeremy C Smith, et al.Journal of Computational Chemistry|May 3, 2012
Symmetrizer: algorithmic determination of point groups in nearly symmetric moleculesR Jeffrey Largent, William F Polik, J R SchmidtJournal of Computational Chemistry|November 29, 2011
Theoretical calculation about the valence and Rydberg excited states of hydrogen cyanideBu-Tong Li, Lu-Lin Li, Hai-Shun WuJournal of Computational Chemistry|November 29, 2011
Durandal: fast exact clustering of protein decoysFrancois Berenger, Rojan Shrestha, Yong Zhou, et al.Journal of Computational Chemistry|November 24, 2011
A new approximate method for the stochastic simulation of chemical systems: the representative reaction approachShantanu Kadam, Kumar VankaPageof 594