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Journal of Molecular Modeling|February 13, 2024
Nano-friction behavior and deformation study of hydroxyapatite in ultra-precision polishing processWeixi Lu, Jiachun LiJournal of Molecular Modeling|February 6, 2024
N2 reduction to NH3 on surfaces of Co-Al18P18, Ni-Al21N21, Fe-B24N24, Mn-B27P27, Ti-C60 and Cu-Si72 catalystsChou-Yi Hsu, Mohammed Ahmed Mustafa, Anupam Yadav, et al.Journal of Molecular Modeling|January 23, 2024
Optimization of CHARMM force field parameters for ryanodine receptor inhibitory drug dantrolene using FFTK and FFParamSaliha Nur Uludag, Cemil Can Saylan, Adem Tekin, et al.Journal of Molecular Modeling|January 29, 2024
Energy spectrum of selected diatomic molecules (H2, CO, I2, NO) by the resolution of Schrodinger equation for combined potentials via NUFA methodKhalid ReggabJournal of Molecular Modeling|January 11, 2024
First-principles study of the electronic structure and optical properties of C-doped SnS2Nan Yang, Ying Wang, Jinghan Ji, et al.Journal of Molecular Modeling|January 9, 2024
Effect of O-doping on electronic and optical properties of monolayer MoSe2 under shear deformationDan Su, Guili Liu, Ran Wei, et al.Journal of Molecular Modeling|January 9, 2024
The formation mechanism of twin type shear bands in β-HMX: molecular rotation and translationJiahui Li, Chuanguo Zhang, Yu Wang, et al.Journal of Molecular Modeling|March 28, 2024
Influence of degree of substitution on the hydroxypropyl-β-cyclodextrin complexation with rifampicin in water solution: a molecular simulationElena AlviraJournal of Molecular Modeling|March 28, 2024
Influence of shear strain on the electronic properties of monolayers MoS2, WS2, and MoS2/WS2 vdW heterostructureYimin SunJournal of Molecular Modeling|March 19, 2024
In silico design of potential Mcl-1 peptide-based inhibitorsNaser Faraji, Norelle L Daly, Seyed Shahriar Arab, et al.Pageof 696