Showing results (4821-4830 of 5,978) with videos related to
Sort By:
Pageof 598
Journal of Computational Chemistry|April 29, 2014
Massively parallel implementation of 3D-RISM calculation with volumetric 3D-FFTYutaka Maruyama, Norio Yoshida, Hiroto Tadano, et al.Journal of Computational Chemistry|April 18, 2014
Using operators to expand the block matrices forming the Hessian of a molecular potentialMartin CarlsenJournal of Computational Chemistry|April 23, 2014
Surface electronic structure calculations using the MBJLDA potential: application to Si(111)2 × 1Phillip V Smith, Marian W Radny, G Ali ShahJournal of Computational Chemistry|April 23, 2014
WATsite: hydration site prediction program with PyMOL interfaceBingjie Hu, Markus A LillJournal of Computational Chemistry|February 14, 2014
SSThread: Template-free protein structure prediction by threading pairs of contacting secondary structures followed by assembly of overlapping pairsKevin J MauriceJournal of Computational Chemistry|March 21, 2014
A balanced procedure for the treatment of cluster-ligand interactions on gold phosphine systems in catalysisDoreen Mollenhauer, Nicola GastonJournal of Computational Chemistry|March 21, 2014
Identifying essential pairwise interactions in elastic network model using the alpha shape theoryFei Xia, Dudu Tong, Lifeng Yang, et al.Journal of Computational Chemistry|March 25, 2014
Oxygen adsorption characteristics on hybrid carbon and boron-nitride nanotubesHaining Liu, C Heath TurnerJournal of Computational Chemistry|March 9, 2017
Deep learning for computational chemistryGarrett B Goh, Nathan O Hodas, Abhinav VishnuJournal of Computational Chemistry|March 9, 2017
Computing converged free energy differences between levels of theory via nonequilibrium work methods: Challenges and opportunitiesFiona L Kearns, Phillip S Hudson, Henry L Woodcock, et al.Pageof 598