Showing results (3701-3710 of 5,977) with videos related to
Sort By:
Pageof 598
Journal of Computational Chemistry|November 26, 2019
Martini Force Field for Protonated PolyethyleneimineTitus Adrian Beu, Andrada-Elena Ailenei, Răzvan-Ioan CostinaşJournal of Computational Chemistry|November 7, 2019
A metadynamics perspective on the reduction mechanism of the Pt(IV) asplatin prodrugFortuna Ponte, GiovanniMaria Piccini, Emilia Sicilia, et al.Journal of Computational Chemistry|December 28, 2019
Next-generation QTAIM for scoring molecular wires in E-fields for molecular electronic devicesAlireza Azizi, Roya Momen, Herbert Früchtl, et al.Journal of Computational Chemistry|December 21, 2019
Development of Coarse-Grained Force Field by Combining Multilinear Interpolation Technique and Simplex AlgorithmMingwei Wan, Junjie Song, Wenli Li, et al.Journal of Computational Chemistry|February 29, 2020
Aspartate: An interesting model for analyzing dipole-ion and ion pair interactions through its oppositely charged amine and acid groupsBelén Hernández, Fernando Pflüger, Mahmoud GhomiJournal of Computational Chemistry|March 4, 2020
Periodic trends and complexation chemistry of tetravalent actinide ions with a potential actinide decorporation agent 5-LIO(Me-3,2-HOPO): A relativistic density functional theory explorationBiswajit Sadhu, Michael Dolg, Mukund S KulkarniJournal of Computational Chemistry|March 20, 2020
Evaluation the synergistic antitumor effect of methotrexate-camptothecin codelivery prodrug from self-assembly process to acid-catalyzed both drugs release: A comprehensive theoretical studyMajid Pakdel, Heidar Raissi, Seyede T HosseiniJournal of Computational Chemistry|March 17, 2020
Stability, electronic, and optical properties of two-dimensional phosphoboraneDmitriy V Steglenko, Nikolay V Tkachenko, Alexander I Boldyrev, et al.Journal of Computational Chemistry|February 15, 2020
Efficient implementation of the interacting quantum atoms energy partition of the second-order Møller-Plesset energyJosé Luis Casals-Sainz, José Manuel Guevara-Vela, Evelio Francisco, et al.Journal of Computational Chemistry|February 15, 2020
Distributed and multicore QuBiLS-MIDAS software v2.0: Computing chiral, fuzzy, weighted and truncated geometrical molecular descriptors based on tensor algebraCésar R García-Jacas, Yovani Marrero-Ponce, Ricardo Vivas-Reyes, et al.Pageof 598