Showing results (5401-5410 of 5,980) with videos related to
Sort By:
Pageof 598
Journal of Computational Chemistry|December 5, 2006
Electrostatic energy in the effective fragment potential method: theory and application to benzene dimerLyudmila V Slipchenko, Mark S GordonJournal of Computational Chemistry|December 5, 2006
Recent advances in planar tetracoordinate carbon chemistryGabriel Merino, Miguel A Méndez-Rojas, Alberto Vela, et al.Journal of Computational Chemistry|December 5, 2006
Maximum probability domains from Quantum Monte Carlo calculationsAnthony Scemama, Michel Caffarel, Andreas SavinJournal of Computational Chemistry|December 23, 2006
CHARMM force field parameters for simulation of reactive intermediates in native and thio-substituted ribozymesEvelyn Mayaan, Adam Moser, Alexander D MacKerell, et al.Journal of Computational Chemistry|December 23, 2006
Convergence of third order correlation energy in atoms and moleculesKalju Kahn, Alex A Granovsky, Jozef NogaJournal of Computational Chemistry|December 23, 2006
On the quality of the hardness kernel and the Fukui function to evaluate the global hardnessMiquel Torrent-Sucarrat, Pedro Salvador, Paul Geerlings, et al.Journal of Computational Chemistry|December 23, 2006
Gradient tabu searchSvetlana Stepanenko, Bernd EngelsJournal of Computational Chemistry|December 23, 2006
Density functional theory augmented with an empirical dispersion term. Interaction energies and geometries of 80 noncovalent complexes compared with ab initio quantum mechanics calculationsPetr Jurecka, Jirí Cerný, Pavel Hobza, et al.Journal of Computational Chemistry|December 30, 2006
Collisions of ideal gas molecules with a rough/fractal surface. A computational studyTomasz PanczykJournal of Computational Chemistry|December 30, 2006
Effects of entropy on the gas-phase pyrolysis of ethyl N,N-dimethylcarbamateChang K Kim, Dong J Kim, Y Hsieh, et al.Pageof 598