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Journal of Molecular Modeling|November 13, 2024
Molecular dynamics study of the microstamping of TiAl6V4 alloyXiaohan Sun, Weijun Liu, Xingfu Yu, et al.Journal of Molecular Modeling|November 12, 2024
Interactions involved in the adsorption of ethylene glycol and 2-hydroxyethoxide on the Au(111) surface: a Density Functional Theory studyJoana Avelar, Raymundo Hernández-Esparza, Jorge Garza, et al.Journal of Molecular Modeling|October 29, 2024
Understanding and simulating mechanochromism in dye-dispersed polymer blends: from atomistic insights to macroscopic propertiesQinfan Wang, Alistar Ottochian, Michele Turelli, et al.Journal of Molecular Modeling|November 18, 2024
Theoretical analysis of photosensitization of DNA by thionineSvetlana V Leontieva, Victor V KostjukovJournal of Molecular Modeling|November 19, 2024
Investigation of structural and electrical properties of electrolyte LaGaO3 for solid oxide fuel cellAnshika Dubey, Brijesh Kumar Pandey, Pragya Mishra, et al.Journal of Molecular Modeling|November 7, 2024
The molecular structure, electronic properties, and decomposition mechanism of FOX-7 under external electric field were calculated based on density functional theoryJun Chen, Jiani Xu, Tingting Xiao, et al.Journal of Molecular Modeling|December 5, 2024
Capacities of metal-doped nanocages for flutamide and cyclophosphamide delivery as anticancer drugFarag M A Altalbawy, Irwanjot Kaur, Abhishek Kumar, et al.Journal of Molecular Modeling|November 27, 2024
Improved energy equations and thermal functions for diatomic molecules: a generalized fractional derivative approachE S Eyube, C R Makasson, E Omugbe, et al.Journal of Molecular Modeling|March 17, 2025
DFT study of electronic and optical properties of pentacene derivativesHayder M HadiJournal of Molecular Modeling|March 8, 2025
First-principles studies of the SCl2 adsorption on the doped boron phosphide monolayerAkari Narayama Sosa, Sandra Esteban Gómez, Juan Carlos Moreno Hernández, et al.Pageof 696