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Journal of Molecular Modeling|February 28, 2019
Predicting protein tertiary structure and its uncertainty analysis via particle swarm samplingÓscar Álvarez, Juan Luis Fernández-Martínez, Ana Cernea Corbeanu, et al.Journal of Molecular Modeling|February 20, 2019
Study of the Wilcox torsion balance in solution for a Tröger's base derivative with hexyl-and heptyl substituents using a combined molecular mechanics and quantum chemistry approachAndreas Heßelmann, Federica FerraroJournal of Molecular Modeling|February 20, 2019
Effect of aluminum content on detonation velocity and density of emulsion explosivesArvind Kumar Mishra, Hemant Agrawal, Manamohan RautJournal of Molecular Modeling|March 9, 2019
Knowledge discovery through chemical space networks: the case of organic electronicsChristian Kunkel, Christoph Schober, Harald Oberhofer, et al.Journal of Molecular Modeling|March 11, 2019
Theoretical investigation on π-spacer effect of the D-π-A organic dyes for dye-sensitized solar cell applications: a DFT and TD-BHandH studySouad El Mzioui, Si Mohamed Bouzzine, İsa Sidir, et al.Journal of Molecular Modeling|February 22, 2019
Influence of nanotube section on carboplatin confinementJérémy Bentin, Eric Duverger, Fabien PicaudJournal of Molecular Modeling|November 22, 2018
Exploring the binding properties of agonists interacting with glucocorticoid receptor: an in silico approachSamith Rathnayake, Samantha WeerasingheJournal of Molecular Modeling|November 25, 2018
Donor functionalized quinoline based organic sensitizers for dye sensitized solar cell (DSSC) applications: DFT and TD-DFT investigationsP Pounraj, V Mohankumar, M Senthil Pandian, et al.Journal of Molecular Modeling|February 18, 2021
Quantum chemical study in exploring the role of donor→acceptor interactions in 1,3-bis carbene-stabilized guanidinium cationsPravin J Wanjari, Tejender Singh, Firdoos Ahmad Sofi, et al.Journal of Molecular Modeling|February 5, 2021
Quantifying bond strengths via a Coulombic force model: application to the impact sensitivity of nitrobenzene, nitrogen-rich nitroazole, and non-aromatic nitramine moleculesMarco Aurélio Souza Oliveira, Roberta Siqueira Soldaini Oliveira, Itamar BorgesPageof 708