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Journal of Molecular Modeling|October 25, 2020
Molecular modification approach on kojic acid derivatives as antioxidants related to ascorbic acidPaulo A P F G das Neves, Cleison C Lobato, Lanalice R Ferreira, et al.Journal of Molecular Modeling|March 27, 2020
The Raman and IR vibration modes of metal pentazolate hydrates [Na(H2O)(N5)]·2H2O and [Mg(H2O)6(N5)2]·4H2OHan Qin, Sheng-Hai Zhu, Yun-Dan Gan, et al.Journal of Molecular Modeling|March 27, 2020
Computational studies on nitro derivatives of BN indole as high energetic materialSatyendra Gupta, H J SinghJournal of Molecular Modeling|July 14, 2021
Role of acceptor guests in tuning optoelectronic properties of benzothiadiazole core based non-fullerene acceptors for high-performance bulk-heterojunction organic solar cellsMuhammad Yasir Mehboob, Riaz Hussain, Zobia Irshad, et al.Journal of Molecular Modeling|June 14, 2021
The adsorption of cathinone drug on the platinum decorated silicon carbide nanosheets: DFT studiesYanni Lei, Xiaobin Zhang, Tao DengJournal of Molecular Modeling|July 14, 2021
Comparison in optoelectronic properties of triphenylamine-imidazole or imidazole as donor for dye-sensitized solar cell: theoretical approachAssia Bourouina, Mâammar RekisJournal of Molecular Modeling|May 27, 2021
DFT study of superhalogen-doped borophene with enhanced nonlinear optical propertiesMuhammad Ishaq, Rao Aqil Shehzad, Muhammad Yaseen, et al.Journal of Molecular Modeling|October 5, 2020
In silico strategy for detailing the binding modes of a novel family of peptides proven as ghrelin receptor agonistsAnia de la Nuez Veulens, Rolando E Rodríguez Fernández, Yoanna M Álvarez Ginarte, et al.Journal of Molecular Modeling|January 8, 2020
Water dimer isomers: interaction energies and electronic structureSourav Ranjan Ghosh, Bhaswati Debnath, Atish Dipankar JanaJournal of Molecular Modeling|July 7, 2022
Efficient model photosensitizers based on metallocenyl complexes with thiophene-N = N-pyrimidine as π-conjugated bridge and cyanoacrylate as an anchoring group: a density functional theory studyAmina C Berrekhchi-Berrahma, Michael Springborg, Meijuan Zhou, et al.Pageof 696