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Journal of Molecular Modeling|August 25, 2019
Dielectric and optical properties of porous graphenes with uniform pore structuresXian Wang, Xingtao Ma, Li Zhang, et al.Journal of Molecular Modeling|August 27, 2019
Molecular simulation of nanoparticles composed of mono- and bi-dispersed poly(ethylene oxide)Visit Vao-SoongnernJournal of Molecular Modeling|July 24, 2019
Thermal decomposition mechanism of O-acetyl-4-O-methylglucurono-xylanJie Wu, Chao Liu, Qinbin LiJournal of Molecular Modeling|October 25, 2018
The effect of DNA backbone on the triplet mechanism of UV-induced thymine-thymine (6-4) dimer formationXingyong Wang, Haibo YuJournal of Molecular Modeling|October 26, 2018
Estimation of the thermal and photochemical stabilities of pheromonesF N Tomilin, A S Fedorov, P V Artyushenko, et al.Journal of Molecular Modeling|March 24, 2017
Modeling of the morphological change of cellulose microfibrils caused with aqueous NaOH solution: the longitudinal contraction and laterally swelling during decrystallizationTakato NakanoJournal of Molecular Modeling|March 25, 2017
Adsorption of Mn atom on pristine and defected graphene: a density functional theory studyV S Anithaa, R Shankar, S VijayakumarJournal of Molecular Modeling|March 26, 2017
Structural insights into ligand binding of PGRP1 splice variants in Chinese giant salamander (Andrias davidianus) from molecular dynamics and free energy calculationsZhitao Qi, Fancui Meng, Qihuan Zhang, et al.Journal of Molecular Modeling|November 8, 2018
An Occam's razor approach to chemical hardness: lex parsimoniaePeter Politzer, Jane S MurrayJournal of Molecular Modeling|November 11, 2018
Studying the chemical reactivity properties of the target tumor-environment tripeptides NGR (asparagine-glycine-arginine) and RGD (arginine-glycine-aspartic acid) in their interactions with tamoxifen through conceptual density functional theoryLinda-Lucila Landeros-Martínez, Daniel Glossman-Mitnik, Norma Flores-HolguínPageof 695