Showing results (681-690 of 5,929) with videos related to
Sort By:
Pageof 593
Journal of Computational Chemistry|September 14, 2016
Horizontal vectorization of electron repulsion integralsBenjamin P Pritchard, Edmond ChowJournal of Computational Chemistry|September 17, 2016
Massively parallel algorithm and implementation of RI-MP2 energy calculation for peta-scale many-core supercomputersMichio Katouda, Akira Naruse, Yukihiko Hirano, et al.Journal of Computational Chemistry|February 23, 2010
Reannotation of protein-coding genes based on an improved graphical representation of DNA sequenceJia-Feng Yu, Xiao SunJournal of Computational Chemistry|May 31, 2017
On the applicability of density functional theory to manganese-based complexes with catalytic activity toward water oxidationJosé A Gámez, Markus Hölscher, Walter LeitnerJournal of Computational Chemistry|May 31, 2017
Accurate van der Waals force field for gas adsorption in porous materialsLei Sun, Li Yang, Ya-Dong Zhang, et al.Journal of Computational Chemistry|May 31, 2017
Importance of explicit smeared lone-pairs in anisotropic polarizable molecular mechanics. Torture track angular tests for exchange-repulsion and charge transfer contributionsLéa El Khoury, Sehr Naseem-Khan, Karolina Kwapien, et al.Journal of Computational Chemistry|December 29, 2005
A search algorithm for fixed-composition protein designGeoffrey K Hom, Stephen L MayoJournal of Computational Chemistry|March 12, 2010
Do anionic titanium dioxide nano-clusters reach bulk band gap? A density functional theory studyZheng-Wang Qu, Hui ZhuJournal of Computational Chemistry|March 12, 2010
Practical modeling of molecular systems with symmetriesSergei Grudinin, Stephane RedonJournal of Computational Chemistry|May 18, 2017
Combining frozen-density embedding with the conductor-like screening model using Lagrangian techniques for response propertiesNils Schieschke, Roberto Di Remigio, Luca Frediani, et al.Pageof 593