Showing results (2781-2790 of 5,944) with videos related to
Sort By:
Pageof 595
Journal of Computational Chemistry|March 12, 2015
The topology of the Ehrenfest force density revisited. A different perspective based on Slater-type orbitalsJan DillenJournal of Computational Chemistry|March 13, 2015
Can substituted allenes be highly efficient leaving groups in catalytic processes? A computational investigationNishamol Kuriakose, Kumar VankaJournal of Computational Chemistry|March 18, 2015
Gradient gravitational search: An efficient metaheuristic algorithm for global optimizationTirtharaj Dash, Prabhat K SahuJournal of Computational Chemistry|March 27, 2015
Theoretical comparative studies on transport properties of pentacene, pentathienoacene, and 6,13-dichloropentaceneXu Zhang, Xiaodi Yang, Hua Geng, et al.Journal of Computational Chemistry|March 11, 2015
On combining Thole's induced point dipole model with fixed charge distributions in molecular mechanics force fieldsHanne S Antila, Emppu SalonenJournal of Computational Chemistry|March 14, 2015
LS-VISM: A software package for analysis of biomolecular solvationShenggao Zhou, Li-Tien Cheng, Hui Sun, et al.Journal of Computational Chemistry|June 27, 2020
Blue moon ensemble simulation of aquation free energy profiles applied to mono and bifunctional platinum anticancer drugsTeruo Hirakawa, David R Bowler, Tsuyoshi Miyazaki, et al.Journal of Computational Chemistry|June 28, 2020
Modified Lennard-Jones potentials for nanoscale atomsCelina Sikorska, Nicola GastonJournal of Computational Chemistry|June 30, 2020
Phase diagrams of the Ziff-Gulari-Barshad model on random networksEdda B Vilela, Henrique A Fernandes, Fábio L Paranhos Costa, et al.Journal of Computational Chemistry|April 15, 2015
Theoretical and experimental investigation of crown/ammonium complexes in solutionAndreas J Achazi, Larissa K S von Krbek, Christoph A Schalley, et al.Pageof 595