Showing results (1181-1190 of 4,000) with videos related to
Sort By:
Pageof 400
Journal of Molecular Graphics & Modelling|March 22, 2021
Interaction studies of glycine, acetate and methylamine on β-tellurene nanoribbon - A first-principles analysisV Nagarajan, R ChandiramouliJournal of Molecular Graphics & Modelling|March 22, 2021
Understanding the effect of the MFI framework on the mechanism and kinetics of direct CH3COOH formation from the Co-activation of CO2 and CH4Nasir Shahzad, Basharat KhanJournal of Molecular Graphics & Modelling|March 25, 2021
Relating molecular descriptors to frontier orbital energy levels, singlet and triplet excited states of fused tricyclics using machine learningKai Lin Woon, Zhao Xian Chong, Azhar Ariffin, et al.Journal of Molecular Graphics & Modelling|December 3, 2021
On the mechanical properties and fracture analysis of polymer nanocomposites reinforced by functionalized silicon carbide nanotubes: A molecular dynamics investigationM Eghbalian, R Ansari, S HaghighiJournal of Molecular Graphics & Modelling|December 24, 2021
New insights into NO adsorption on alkali metal and transition metal doped graphene nanoribbon surface: A DFT approachDeji R, Akarsh Verma, B C Choudhary, et al.Journal of Molecular Graphics & Modelling|February 8, 2021
Interaction of small molecules with the SARS-CoV-2 papain-like protease: In silico studies and in vitro validation of protease activity inhibition using an enzymatic inhibition assayEleni Pitsillou, Julia Liang, Katherine Ververis, et al.Journal of Molecular Graphics & Modelling|January 14, 2021
DFT/B3LYP and BP86 examination of mononuclear half-sandwich nd7 metallo drug complexes based on N∩O dendritic scaffoldsNdika Ngomb Simon Claude, Tamafo Fouegue Aymard Didier, Ateba Amana Baruch, et al.Journal of Molecular Graphics & Modelling|December 13, 2016
Probing the stereospecificity of tyrosyl- and glutaminyl-tRNA synthetase with molecular dynamicsKaren Druart, Maeva Le Guennec, Zoltan Palmai, et al.Journal of Molecular Graphics & Modelling|March 29, 2017
Monitoring of the energy levels by heteroatom substitution to hexacene and controlling over singlet fission and photo-oxidative resistanceSubhankar SardarJournal of Molecular Graphics & Modelling|March 29, 2017
Adsorption behavior of acetone solvent at the HMX crystal faces: A molecular dynamics studyYingzhe Liu, Tao Yu, Weipeng Lai, et al.Pageof 400