Showing results (2491-2500 of 5,977) with videos related to
Sort By:
Pageof 598
Journal of Computational Chemistry|July 6, 2013
Auxiliary basis sets for density-fitting second-order Møller-Plesset perturbation theory: weighted core-valence correlation consistent basis sets for the 4d elements Y-PdJ Grant HillJournal of Computational Chemistry|July 6, 2013
Efficient optimization of van der Waals parameters from bulk propertiesSteven K Burger, G Andrés CisnerosJournal of Computational Chemistry|July 9, 2013
1,3-Dipolar cycloadditions of Stone-Wales defective single-walled carbon nanotubes: A theoretical studyTao Yang, Xiang Zhao, Shigeru NagaseJournal of Computational Chemistry|June 28, 2013
A polarizable ellipsoidal force field for halogen bondsLikai Du, Jun Gao, Fuzhen Bi, et al.Journal of Computational Chemistry|June 28, 2013
First principle and ReaxFF molecular dynamics investigations of formaldehyde dissociation on Fe(100) surfaceTakahiro Yamada, Donald K Phelps, Adri C T van DuinJournal of Computational Chemistry|July 2, 2013
Multiscale geometric modeling of macromolecules II: Lagrangian representationXin Feng, Kelin Xia, Zhan Chen, et al.Journal of Computational Chemistry|March 20, 2013
Automated discovery of chemically reasonable elementary reaction stepsPaul M ZimmermanJournal of Computational Chemistry|April 13, 2013
Modeling peptide binding to anionic membrane poresYi He, Lidia Prieto, Themis LazaridisJournal of Computational Chemistry|May 25, 2013
High-quality protein backbone reconstruction from alpha carbons using Gaussian mixture modelsBenjamin L Moore, Lawrence A Kelley, James Barber, et al.Journal of Computational Chemistry|May 25, 2013
Heuristic control of kinetic energy in dynamic reaction coordinate calculationsArnim HellwegPageof 598