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Journal of Molecular Modeling|August 30, 2019
Structure and bonding in triorganotin chlorides: a perspective from energy decomposition analysisMarcus V J Rocha, Felipe S Vilhena, Matheus R M Signorelli, et al.ACS Omega|October 14, 2024
Parallel Plate Capacitor Model at the Nanoscale for Stable and Gigantic SERS Activity of the 4-MBA@R-AuNP-4-MBA@R-AuNP SystemAmar Ghosh, Murugesan Panneerselvam, Sourav Mondal, et al.Journal of Molecular Modeling|July 30, 2022
Theoretical study of keto-enol tautomerism in 7-epi-clusianone by quantum chemical calculations of NMR chemical shiftsAna Carolina F de Albuquerque, Guilherme S Corrêa, Gustavo T Albuquerque, et al.Computers in Biology and Medicine|September 6, 2021
Potential colchicine binding site inhibitors unraveled by virtual screening, molecular dynamics and MM/PBSALeonardo Bruno Federico, Guilherme Martins Silva, Suzane Quintana Gomes, et al.International Journal of Biological Macromolecules|March 19, 2021
Identification of novel αβ-tubulin modulators with antiproliferative activity directed to cancer therapy using ligand and structure-based virtual screeningLeonardo Bruno Federico, Guilherme Martins Silva, Amanda de Fraga Dias, et al.The Journal of Chemical Physics|June 9, 2026
Ionic liquid induced structural transformation in a copper-based MOF synthesis: Experimental and DFT investigationsJarede S Martins, Carolina B P Ligieiro, Rodrigo S Bitzer, et al.The Journal of Physical Chemistry Letters|November 21, 2019
X-ray Photoelectron Fingerprints of High-Valence Ruthenium-Oxo Complexes along the Oxidation Reaction Pathway in an Aqueous EnvironmentJose Luis Silva, Isaak Unger, Tiago Araujo Matias, et al.Pageof 5