Showing results (2271-2280 of 5,940) with videos related to
Sort By:
Pageof 594
Journal of Computational Chemistry|August 30, 2008
Application of error-ranked singular value decomposition for the determination of potential-derived atomic-centered point chargesJeffrey S Tan, Stephan X M Boerrigter, Raymond P Scaringe, et al.Journal of Computational Chemistry|August 30, 2008
Prediction of acidity in acetonitrile solution with COSMO-RSFrank Eckert, Ivo Leito, Ivari Kaljurand, et al.Journal of Computational Chemistry|August 30, 2008
Ab initio calculations on halogen-bonded complexes and comparison with density functional methodsYun-Xiang Lu, Jian-Wei Zou, Ji-Cai Fan, et al.Journal of Computational Chemistry|September 12, 2008
(13)C shielding tensors of crystalline amino acids and peptides: Theoretical predictions based on periodic structure modelsAnmin Zheng, Shang-Bin Liu, Feng DengJournal of Computational Chemistry|November 15, 2008
On the nature of the pi --> pi* ionic excited states: the V state of ethene as a prototypeCelestino AngeliJournal of Computational Chemistry|November 15, 2008
Using support vector machines for prediction of protein structural classes based on discrete wavelet transformJian-Ding Qiu, San-Hua Luo, Jian-Hua Huang, et al.Journal of Computational Chemistry|November 15, 2008
Evaluation of electroosmotic drag coefficient of water in hydrated sodium perfluorosulfonate electrolyte polymerLiuming Yan, Changle Shao, Xiaobo JiJournal of Computational Chemistry|September 29, 2007
QUILD: QUantum-regions interconnected by local descriptionsMarcel Swart, F Matthias BickelhauptJournal of Computational Chemistry|September 29, 2007
Colle-Salvetti-type correction for electron-nucleus correlation in the nuclear orbital plus molecular orbital theoryYutaka Imamura, Hiroyoshi Kiryu, Hiromi NakaiJournal of Computational Chemistry|October 3, 2007
New Tabu Search based global optimization methods outline of algorithms and study of efficiencySvetlana Stepanenko, Bernd EngelsPageof 594