Showing results (931-940 of 3,997) with videos related to
Sort By:
Pageof 400
Journal of Molecular Graphics & Modelling|June 3, 2026
Integrated machine learning and computational approaches for identifying NLRP3 inhibitors from Jeevaneeya Rasayana in epilepsyDesu Gayathri Niharika, Punam Salaria, Abothula Anusha, et al.Journal of Molecular Graphics & Modelling|June 10, 2026
Enhanced spin thermoelectric response in half-metallic CoTiTe: Material for spintronic and spin-caloritronic applicationsA Samih, N Bouzakraoui, Z Fadil, et al.Journal of Molecular Graphics & Modelling|May 26, 2026
Substituent effects on CO2 adsorption in functionalized porphyrins: Mechanistic insights into electronic structure and interfacial selectivityİskender Muz, Mustafa KurbanJournal of Molecular Graphics & Modelling|April 9, 2023
Removal of methylene blue by using sodium alginate-based hydrogel; validation of experimental findings via DFT calculationsAbdulrahman Allangawi, Mona A Aziz Aljar, Khurshid Ayub, et al.Journal of Molecular Graphics & Modelling|April 16, 2013
Caffeine as base analogue of adenine or guanine: a theoretical studyAli Ebrahimi, Mostafa Habibi-Khorassani, Farideh Badichi Akher, et al.Journal of Molecular Graphics & Modelling|September 10, 2014
Mechanism and regioselectivity of the reversible Diels-Alder cycloaddition of 2-methyl-1,3 butadiene with C48B6N6 heterofullerene: a DFT approachEhsan ZahediJournal of Molecular Graphics & Modelling|December 2, 2014
DFT studies on armchair (5, 5) SWCNT functionalization. Modification of selected structural and spectroscopic parameters upon two-atom molecule attachmentMarzena Jankowska, Teobald Kupka, Leszek Stobiński, et al.Journal of Molecular Graphics & Modelling|September 21, 2015
Impact sensitivities of energetic materials: Exploring the limitations of a model based only on structural formulasDidier Mathieu, Thibaud AlaimeJournal of Molecular Graphics & Modelling|February 8, 2018
Conformational and NBO studies of serotonin as a radical scavenger. Changes induced by the OH groupRosana M Lobayan, María Celia Pérez SchmitJournal of Molecular Graphics & Modelling|February 19, 2018
Trapping of 1,2-cyclohexadiene: A DFT mechanistic study on the reaction of 1,2-cyclohexadiene with olefins and nitronesEmmanuel Amoah Boafo, Kwabena Darko, Bright Aryeh Afriyie, et al.Pageof 400