Showing results (2801-2810 of 4,071) with videos related to
Sort By:
Pageof 408
Journal of Molecular Graphics & Modelling|January 23, 2026
Boron and nitrogen-doped coronene as high-performance sensors for gamma-hydroxybutyrate drug sensing: A DFT/TD-DFT studyMubarak A Alamri, Mohamed Enneiymy, Yassine Riadi, et al.Journal of Molecular Graphics & Modelling|February 12, 2026
Structural exploration of thiazole urea-based Gyr B inhibitors through different computational approaches: Bayesian classification, molecular docking and free energy-inspired molecular dynamics simulationYuvraj Kumar, Arijit Bhattacharya, Swati Dogra, et al.Journal of Molecular Graphics & Modelling|October 28, 2025
First-principles study of toxic industrial gases adsorption on magnesium (4,4)-Porphyrin nanoballs: Electronic structure, dipole moment modulation, and high-sensitivity gas sensing performanceAmirhassan Moallem, Sattar Arshadi, Mohammad Reza Sarmasti Emami, et al.Journal of Molecular Graphics & Modelling|October 28, 2025
First-principles calculations to investigate structural, elastic, mechanical, electronic, magnetic and optical properties of CsCrTe and CsMnTe half-Heusler alloys with varying atomic arrangementsA Ben Zoubair, A Samih, R El Fdil, et al.Journal of Molecular Graphics & Modelling|November 2, 2025
Uncovering the potential of two-dimensional T-BC monolayer as anode for Ca-ion batteries: A computer-based study and electrochemical propertiesNarinderjit Singh Sawaran Singh, A K Hammad, Shirin Shomurotova, et al.Journal of Molecular Graphics & Modelling|November 1, 2025
Next-generation Nanocarrier material prescreening: Unlocking silicon-doped graphdiyne through DFT insightsR Mugunthini, B Anitha, J Sneha, et al.Journal of Molecular Graphics & Modelling|October 7, 2025
Structure-guided discovery of marine natural products as glucokinase activators for type 2 diabetes mellitus: A computational perspectiveHeyram Krishnakumar, Manikandan Jayaraman, Dhamodharan Prabhu, et al.Journal of Molecular Graphics & Modelling|October 16, 2025
Optimizing OLED efficiency through thermally activated delayed fluorescence: Computational insights into position isomers of BN-perylenesNihat Karakuş, Dilara Özbakır IşınJournal of Molecular Graphics & Modelling|October 4, 2025
GGA and GGA+U investigation of half-metallic ferromagnetism in cubic EuVO3 perovskiteA Ben Zoubair, A Samih, R El Fdil, et al.Journal of Molecular Graphics & Modelling|October 22, 2019
The electronic structure and physicochemical property of boron nitrideneHongping Li, Wendi Fu, Ke Xu, et al.Pageof 408