Showing results (5131-5140 of 5,980) with videos related to
Sort By:
Pageof 598
Journal of Computational Chemistry|July 27, 2005
Dual-level direct dynamics studies on the reaction Cl + CHBr(2)ClHui Zhang, Jia-Yan Wu, Ze-Sheng Li, et al.Journal of Computational Chemistry|January 24, 2007
Electric field effects on the performance of a candidate multipole molecular switch: a quantum computational studyHassan Sabzyan, Davood FarmanzadehJournal of Computational Chemistry|January 24, 2007
Theoretical study on the methyl radical with chlorinated methyl radicals CH(3-n)Cln (n = 1, 2, 3) and CCl2Jian Wang, Yi-Hong Ding, Shao-Wen Zhang, et al.Journal of Computational Chemistry|January 24, 2007
A generalized direct-particle-deletion scheme for the calculation of chemical potential and solubilities of small- and medium-sized molecules in amorphous polymersMartin R Siegert, Matthias Heuchel, Dieter HofmannJournal of Computational Chemistry|January 24, 2007
A new outer boundary formulation and energy corrections for the nonlinear Poisson-Boltzmann equationAlexander H Boschitsch, Marcia O FenleyJournal of Computational Chemistry|April 24, 2007
Algorithm to evaluate rate constants for polyatomic chemical reactions. I. Theory and computational detailsJavier González, Xavier Giménez, Josep Maria BofillJournal of Computational Chemistry|April 24, 2007
Electronic structures and chemical bonding in 4d transition metal monohalidesL Cheng, M Y Wang, Z J Wu, et al.Journal of Computational Chemistry|April 24, 2007
A combined electronegativity equalization and electrostatic potential fit method for the determination of atomic point chargesImre Berente, Eszter Czinki, Gábor Náray-SzabóJournal of Computational Chemistry|April 24, 2007
NLOPredict: visualization and data analysis software for nonlinear opticsAndrew J Moad, Charles W Moad, John M Perry, et al.Journal of Computational Chemistry|May 5, 2007
A systematic quantum chemical investigation of the C-H bond activation in methane by gas phase vanadium oxide cation VO+Mikhail Pykavy, Christoph van WüllenPageof 598