Showing results (1021-1030 of 6,950) with videos related to
Sort By:
Pageof 695
Journal of Molecular Modeling|January 23, 2021
Hexa-cata-hexabenzocoronene nanographene as a promising anode material for Mg-ion batteriesBehlol Hashemzadeh, Ladan Edjlali, Parvaneh Delir Kheirollahi Nezhad, et al.Journal of Molecular Modeling|February 18, 2021
Theoretical prediction of the trigger linkage, cage strain, and explosive sensitivity of CL-20 in the external electric fieldsKang-Bo Sun, Shu-Hai Zhang, Fu-de Ren, et al.Journal of Molecular Modeling|February 18, 2021
Study on the growth behavior and photoelectron spectroscopy of neodymium-doped silicon nanoclusters NdSin0/- (n = 8-20) with a double-hybrid density functional theoryXueyan Dong, Zhaofeng Yang, Jucai YangJournal of Molecular Modeling|September 4, 2019
New paths of cyanogenesis from enzymatic-promoted cleavage of β-cyanoglucosides are suggested by a mixed DFT/QTAIM approachRafael Díaz-Sobac, Alma Vázquez-Luna, Eduardo Rivadeneyra-Domínguez, et al.Journal of Molecular Modeling|September 6, 2019
Theoretical study of nitrogen cation modified aromatics containing thiophene as π-linker for p-type photosensitizersZhi-Dan Sun, Jiang-Shan Zhao, Zheng Mei, et al.Journal of Molecular Modeling|February 23, 2021
Effect of ZnO-based nanophotocatalyst on degradation of anilineReihaneh Ashouri, Behnam Rasekh, Alibakhsh Kasaeian, et al.Journal of Molecular Modeling|February 12, 2021
Density functional theory for the thermodynamic gas-phase investigation of butanol biofuel and its isomers mixed with gasoline and ethanolMarcelo Gonçalves Martins, Tiago da Silva Arouche, Abel Ferreira Gomes Neto, et al.Journal of Molecular Modeling|February 5, 2021
Generative chemistry: drug discovery with deep learning generative modelsYuemin Bian, Xiang-Qun XieJournal of Molecular Modeling|February 5, 2021
Density functional theory study to functionalization of BC2N nanotubes with cysteine amino acidXiuyun Zeng, A SarkarJournal of Molecular Modeling|November 1, 2016
Computational modelling of the binding of arachidonic acid to the human monooxygenase CYP2J2G Proietti, K K Abelak, D Bishop-Bailey, et al.Pageof 695