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Journal of Computational Chemistry|March 19, 2014
ST-analyzer: a web-based user interface for simulation trajectory analysisJong Cheol Jeong, Sunhwan Jo, Emilia L Wu, et al.Journal of Computational Chemistry|April 29, 2014
Interaction of aromatic units of amino acids with guanidinium cation: The interplay of π···π, X-H···π, and M+ ···π contactsAlba Campo-Cacharrón, Enrique M Cabaleiro-Lago, Jorge A Carrazana-García, et al.Journal of Computational Chemistry|March 27, 2014
Assessment of the orbital-optimized coupled-electron pair theory for thermochemistry and kinetics: improving on CCSD and CEPA(1)Emine Soydaş, Uğur BozkayaJournal of Computational Chemistry|March 29, 2014
A multiple time step scheme for multiresolved models of macromoleculesNicodemo Di Pasquale, Richard J Gowers, Paola CarboneJournal of Computational Chemistry|March 29, 2014
Analyzing the electric response of molecular conductors using "electron deformation" orbitals and occupied-virtual electron transferMarcos Mandado, Nicolás Ramos-BerdullasJournal of Computational Chemistry|April 23, 2014
Transferable pseudoclassical electrons for aufbau of atomic ionsSolen Ekesan, Seyit Kale, Judith HerzfeldJournal of Computational Chemistry|April 23, 2014
Toward product control in ring-opening oligomerization of 9H-9-borafluorenesHui Zhu, Zheng-Wang QuJournal of Computational Chemistry|April 23, 2014
Toward the understanding of the environmental effects on core ionizationsAdèle D Laurent, Vitaly N Glushkov, Thibaut Very, et al.Journal of Computational Chemistry|April 23, 2014
All-atom polarizable force field for DNA based on the classical Drude oscillator modelAlexey Savelyev, Alexander D MacKerellJournal of Computational Chemistry|April 30, 2014
New force field parameters for metalloproteins I: Divalent copper ion centers including three histidine residues and an oxygen-ligated amino acid residueOlivia Wise, Orkid CoskunerPageof 593