Showing results (971-980 of 6,949) with videos related to
Sort By:
Pageof 695
Journal of Molecular Modeling|September 3, 2020
Computational insight into the mechanism and origin of high regioselectivity in the ring-opening cyclization of spirocyclopropanes with stabilized sulfonium ylides by the DFTRuyu Zhu, Yan Zhang, Junxia Yang, et al.Journal of Molecular Modeling|September 26, 2020
Characterization of the adipogenic protein E4orf1 from adenovirus 36 through an in silico approachAlvaro Gutiérrez, Glaucio Monteiro Ferreira, Juan Machuca, et al.Journal of Molecular Modeling|September 30, 2020
Charge transfer and opto-electronic properties of some newly designed polycatenar discotic liquid crystal derivatives: a DFT studyBushra Nosheen, Fouzia Perveen, Zaman Ashraf, et al.Journal of Molecular Modeling|September 30, 2020
Capture carcinogenic aromatic compounds by the design of new tweezer compounds: a theoretical studyAli Abdullah Issa, Hasan R ObayesJournal of Molecular Modeling|September 22, 2020
Heteroatom effects on aromaticity of five-membered rings in acenaphthylene analogsJelena Đurđević Nikolić, Slađana Đorđević, Slavko RadenkovićJournal of Molecular Modeling|September 27, 2020
The adsorption of chlorofluoromethane on pristine, and Al- and Ga-doped boron nitride nanosheets: a DFT, NBO, and QTAIM studyMohsen Doust Mohammadi, Hewa Y AbdullahJournal of Molecular Modeling|September 27, 2020
Narrow-energy gap conjugated polymers based on benzobisthiadiazole and thiadiazoloquinoxaline: DFT and TDDFT studyPervin Ünal Civcir, Ezgi Özen, Can KaradenizJournal of Molecular Modeling|October 13, 2020
Nonlinear optical properties and spectroscopic characterization of Y-shaped polymer using quantum chemical approachMahadevappa Naganathappa, Sampath Ravula, Balakrishna Kolli, et al.Journal of Molecular Modeling|December 17, 2020
Gaseous complex hydrides NaMH4 and Na2MH5 (M = B, Al) as hydrogen storage materials: a quantum chemical studyMelkizedeck H Tsere, Tatiana P Pogrebnaya, Alexander M PogrebnoiJournal of Molecular Modeling|January 6, 2021
Exploring the optoelectronic and third-order nonlinear optical susceptibility of cross-shaped molecules: insights from molecule to material levelRao Aqil Shehzad, Shabbir Muhammad, Javed Iqbal, et al.Pageof 695