Showing results (1001-1010 of 5,929) with videos related to
Sort By:
Pageof 593
Journal of Computational Chemistry|January 21, 2016
Proton solvation in protic and aprotic solventsEmanuele Rossini, Ernst-Walter KnappJournal of Computational Chemistry|March 8, 2016
Comparative studies on group III σ-hole and π-hole interactionsLei Gao, Yanli Zeng, Xueying Zhang, et al.Journal of Computational Chemistry|March 5, 2016
A new approach for second-order perturbation theoryDavid G Tomlinson, Andrey Asadchev, Mark S GordonJournal of Computational Chemistry|September 27, 2015
The PyPES library of high quality semi-global potential energy surfacesMarat Sibaev, Deborah L CrittendenJournal of Computational Chemistry|August 28, 2015
Application of a BOSS-Gaussian interface for QM/MM simulations of Henry and methyl transfer reactionsJonah Z Vilseck, Jakub Kostal, Julian Tirado-Rives, et al.Journal of Computational Chemistry|August 1, 2015
An enhanced Monte Carlo outlier detection methodLiangxiao Zhang, Peiwu Li, Jin Mao, et al.Journal of Computational Chemistry|August 1, 2015
Beyond static structures: Putting forth REMD as a tool to solve problems in computational organic chemistryRiccardo Petraglia, Adrien Nicolaï, Matthew D Wodrich, et al.Journal of Computational Chemistry|August 19, 2015
pK(A) in proteins solving the Poisson-Boltzmann equation with finite elementsIlkay Sakalli, Ernst-Walter KnappJournal of Computational Chemistry|January 14, 2015
H2 adsorption on Ag-nanocluster/single-walled carbon nanotube composites: a molecular dynamics study on the effects of nanocluster size, diameter, and chirality of nanotubeHamed Akbarzadeh, Amir Nasser ShamkhaliJournal of Computational Chemistry|December 10, 2014
Local response dispersion method in periodic systems: Implementation and assessmentYasuhiro Ikabata, Yusuke Tsukamoto, Yutaka Imamura, et al.Pageof 593