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Journal of Molecular Graphics & Modelling|April 1, 2018
In-plane and out-of-plane rotational motion of individual chain molecules in steady shear flow of polymer melts and solutionsCarl N Edwards, Mohammad H Nafar Sefiddashti, Brian J Edwards, et al.Journal of Molecular Graphics & Modelling|March 17, 2018
Vertically aligned double wall carbon nanotube arrays adsorbent for pure and mixture adsorption of H2S, ethylbenzene and carbon monoxide, grand canonical Monte Carlo simulationSaeideh Tasharrofi, Hossein Taghdisian, Abdollah GolchoobiJournal of Molecular Graphics & Modelling|March 21, 2018
Tuning the field emission and electronic properties of silicon nanocones by Al and P doping: DFT studiesLeila Saedi, Maryam Maskanati, Majede Modheji, et al.Journal of Molecular Graphics & Modelling|December 24, 2018
The aqueous environment as an active participant in the protein folding processMałgorzata Gadzała, Dawid Dułak, Barbara Kalinowska, et al.Journal of Molecular Graphics & Modelling|December 15, 2018
Computational conformational analysis of α-thrombin inhibitors possessing distinct scaffolds in aqueous solution and on Ala-sheetKeigo GohdaJournal of Molecular Graphics & Modelling|December 17, 2018
Inhibition mechanism of L,D-transpeptidase 5 in presence of the β-lactams using ONIOM methodGideon F Tolufashe, Victor T Sabe, Collins U Ibeji, et al.Journal of Molecular Graphics & Modelling|November 27, 2018
A time and memory efficient recipe for fast normal mode computations of complexes with icosahedral symmetryGuang SongJournal of Molecular Graphics & Modelling|November 13, 2019
Mechanism and enantioselectivity of the asymmetric [3+2]-annulation between N-methylindole and enoldiazoacetamide catalyzed by prolinate-coordinated dirhodium: A theoretical studyMing Wen, Shihai Li, Jianjun Han, et al.Journal of Molecular Graphics & Modelling|December 3, 2019
Theoretical prediction of 2D XI2 (X=Si, Ge, Sn, Pb) monolayers by density functional theoryMosayeb Naseri, D M Hoat, Khaled Salehi, et al.Journal of Molecular Graphics & Modelling|November 24, 2019
The substituent effects on the [3+2] cycloaddition of nitrile oxides generated by photooxidation of arylazides to acetonitrileAidar R Yarullin, Mikhail Yu Ovchinnikov, Sergey L Khursan, et al.Pageof 408