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Journal of Molecular Graphics & Modelling|December 16, 2021
Structures, binding energies and non-covalent interactions of furan clustersAlhadji Malloum, Jeanet ConradieData in Brief|October 19, 2020
Proton transfer free energy and enthalpy data from water to ammonia, water to acetonitrile and ammonia to acetonitrileAlhadji Malloum, Jeanet ConradieJournal of Molecular Graphics & Modelling|November 24, 2022
Adsorption free energy of phenol onto coronene: Solvent and temperature effectsAlhadji Malloum, Jeanet ConradieData in Brief|March 22, 2022
Dimethylsulfoxide (DMSO) clusters dataset: DFT relative energies, non-covalent interactions, and cartesian coordinatesAlhadji Malloum, Jeanet ConradieJournal of Molecular Graphics & Modelling|August 15, 2022
Molecular simulations of the adsorption of aniline from waste-waterAlhadji Malloum, Jeanet ConradieThe Journal of Physical Chemistry. A|December 11, 2024
Assessing Computational Methods to Calculate the Binding Energies of Dimers of Five-Membered Heterocyclic MoleculesAlhadji Malloum, Jeanet ConradieJournal of Molecular Modeling|September 25, 2025
Interactions of imidazole with water moleculesAlhadji Malloum, Jeanet ConradieData in Brief|June 11, 2021
Free energy and enthalpy data of neutral and protonated clusters in the solvent phaseAlhadji Malloum, Jeanet ConradieData in Brief|January 10, 2022
QTAIM analysis dataset for non-covalent interactions in furan clustersAlhadji Malloum, Jeanet ConradieData in Brief|January 24, 2022
Data to understand the nature of non-covalent interactions in the thiophene clustersAlhadji Malloum, Jeanet ConradiePageof 20