Showing results (2961-2970 of 5,949) with videos related to
Sort By:
Pageof 595
Journal of Computational Chemistry|February 18, 2011
Infinite Basis set extrapolation for Double Hybrid Density Functional Theory 1: effect of applying various extrapolation functionsYao-Yuan Chuang, Sheng-Min ChenJournal of Computational Chemistry|February 18, 2011
Modeling the electron density kernelsPaweł Szarek, Ludwik KomorowskiJournal of Computational Chemistry|February 2, 2011
Consideration of data load time on modern processors for the Verlet table and linked-cell algorithmsEduard S FominJournal of Computational Chemistry|February 2, 2011
Analyzing the robustness of the MM/PBSA free energy calculation method: application to DNA conformational transitionsAllyn R Brice, Brian N DominyJournal of Computational Chemistry|February 2, 2011
Extensive theoretical study on electronically excited states and predissociation mechanisms of sulfur monoxide including spin-orbit couplingLe Yu, Wensheng BianJournal of Computational Chemistry|January 29, 2011
Cyclooctatetraene dianion--an artifact?Justyna Dominikowska, Marcin PalusiakJournal of Computational Chemistry|July 6, 2010
Hydrogen-bond networks in finite ice nanotubesA M Tokmachev, R DronskowskiJournal of Computational Chemistry|July 6, 2010
Identifying and reducing error in cluster-expansion approximations of protein energiesSeungsoo Hahn, Orr Ashenberg, Gevorg Grigoryan, et al.Journal of Computational Chemistry|August 19, 2010
Nucleic acid sequence design via efficient ensemble defect optimizationJoseph N Zadeh, Brian R Wolfe, Niles A PierceJournal of Computational Chemistry|July 24, 2010
Optimization of a molecular mechanics force field for polyoxometalates based on a genetic algorithmBlandine Courcot, Adam J BridgemanPageof 595