Showing results (1891-1900 of 5,935) with videos related to
Sort By:
Pageof 594
Journal of Computational Chemistry|September 28, 2016
A QTAIM and stress tensor investigation of the torsion path of a light-driven fluorene molecular rotary motorMing Xing Hu, Tianlv Xu, Roya Momen, et al.Journal of Computational Chemistry|May 5, 2018
Performance evaluation of the zero-multipole summation method in modern molecular dynamics softwareShun Sakuraba, Ikuo FukudaJournal of Computational Chemistry|May 26, 2018
Insights into geometries, stabilities, electronic structures, reactivity descriptors, and magnetic properties of bimetallic Nim Cun-m (m = 1, 2; n = 3-13) clusters: Comparison with pure copper clustersRaman K Singh, Takeshi Iwasa, Tetsuya TaketsuguJournal of Computational Chemistry|September 6, 2016
Parameterization of the ReaxFF reactive force field for a proline-catalyzed aldol reactionPierre O Hubin, Denis Jacquemin, Laurence Leherte, et al.Journal of Computational Chemistry|March 13, 2010
The graphical representation of protein sequences based on the physicochemical properties and its applicationsPing-An He, Yan-Ping Zhang, Yu-Hua Yao, et al.Journal of Computational Chemistry|August 23, 2016
A stress tensor and QTAIM perspective on the substituent effects of biphenyl subjected to torsionD Jiajun, J R Maza, Y Xu, et al.Journal of Computational Chemistry|April 21, 2018
Molecules under external electric field: On the changes in the electronic structure and validity limits of the theoretical predictionsF N N Pansini, F A L de Souza, C T CamposJournal of Computational Chemistry|April 23, 2018
Fullerene faraday cage keeps magnetic properties of inner cluster pristineStanislav M AvdoshenkoJournal of Computational Chemistry|April 7, 2018
Incremental update of electrostatic interactions in adaptively restrained particle simulationsSemeho Prince A Edorh, Stéphane RedonJournal of Computational Chemistry|June 12, 2018
Efficient calculation of open quantum system dynamics and time-resolved spectroscopy with distributed memory HEOM (DM-HEOM)Tobias Kramer, Matthias Noack, Alexander Reinefeld, et al.Pageof 594