Showing results (2471-2480 of 5,977) with videos related to
Sort By:
Pageof 598
Journal of Computational Chemistry|January 3, 2013
Cluster-based molecular docking study for in silico identification of novel 6-fluoroquinolones as potential inhibitors against Mycobacterium tuberculosisNikola Minovski, Andrej Perdih, Marjana Novic, et al.Journal of Computational Chemistry|January 3, 2013
Spectroscopic fingerprints of toroidal nuclear quantum delocalization via ab initio path integral simulationsOle Schütt, Daniel SebastianiJournal of Computational Chemistry|January 3, 2013
Simulating GTP:Mg and GDP:Mg with a simple force field: a structural and thermodynamic analysisThomas Simonson, Priyadarshi SatpatiJournal of Computational Chemistry|June 12, 2012
On the importance of excited state dynamic response electron correlation in polarizable embedding methodsJanus J Eriksen, Stephan P A Sauer, Kurt V Mikkelsen, et al.Journal of Computational Chemistry|September 17, 2013
A strategy to find minimal energy nanocluster structuresJosé Rogan, Alejandro Varas, Juan Alejandro Valdivia, et al.Journal of Computational Chemistry|August 6, 2013
Long-range corrected density functionals combined with local response dispersion: A promising method for weak interactionsRahul Kar, Jong-Won Song, Takeshi Sato, et al.Journal of Computational Chemistry|August 13, 2013
Efficient lookup table using a linear function of inverse distance squaredJaewoon Jung, Takaharu Mori, Yuji SugitaJournal of Computational Chemistry|August 14, 2013
A computational methodology for accurate predictions of rate constants in solution: application to the assessment of primary antioxidant activityAnnia Galano, Juan Raúl Alvarez-IdaboyJournal of Computational Chemistry|August 29, 2013
Spin-component-scaled double hybrids: An extensive search for the best fifth-rung functionals blending DFT and perturbation theorySebastian Kozuch, Jan M L MartinJournal of Computational Chemistry|October 15, 2013
Comparison of the capillary wave method and pressure tensor route for calculation of interfacial tension in molecular dynamics simulationsStella Nickerson, Denzil S Frost, Harrison Phelan, et al.Pageof 598