Showing results (951-960 of 6,949) with videos related to
Sort By:
Pageof 695
Journal of Molecular Modeling|January 18, 2023
Estimating hydroxyl/epoxy ratio in graphene oxide through adsorption experiment and semiempirical GFN2-xTB quantum methodLarissa C A Souza, Regis V A Abreu, Mário C Guerreiro, et al.Journal of Molecular Modeling|January 26, 2023
Targeting Y220C mutated p53 by Foeniculum vulgare-derived phytochemicals as cancer therapeuticsSaksham Garg, Japneet Singh, Smita Rastogi VermaJournal of Molecular Modeling|November 23, 2022
Impact of end-group modifications and planarity on BDP-based non-fullerene acceptors for high-performance organic solar cells by using DFT approachMuhammad Umar Saeed, N M A Hadia, Javed Iqbal, et al.Journal of Molecular Modeling|January 6, 2021
Structural and mechanical properties of antimonene monolayers doped with transition metals: a DFT-based studyPeyman Aghdasi, Shayesteh Yousefi, Reza AnsariJournal of Molecular Modeling|January 7, 2021
Polythiophene derivatives as chemical sensors: a DFT study on the influence of side groupsBruno Hori Barboza, Orisson Ponce Gomes, Augusto Batagin-NetoJournal of Molecular Modeling|January 7, 2021
Microcanonical insights into the physicochemical stability of the coformulation of insulin with amylin analoguesRafael B Frigori, Fabio RodriguesJournal of Molecular Modeling|June 25, 2021
Probing the ground-state structural transition in small lithium clusters by quantum Monte Carlo simulationsB G A Brito, E L Verde, G-Q Hai, et al.Journal of Molecular Modeling|June 26, 2021
Investigation of kerogen thermal decomposition mechanisms and kinetics via ReaxFF molecular dynamics simulationsShide HuJournal of Molecular Modeling|June 26, 2021
A first principle study of heme molecule as an active adsorbent for halogenated hydrocarbonsRahul Suresh, V S Anithaa, R Shankar, et al.Journal of Molecular Modeling|May 31, 2022
Nucleation parameters of SPC/E and TIP4P/2005 water vapor measured in NPT molecular dynamics simulationsTomáš NěmecPageof 695