Master | Yasuj University | Iran
Dr. Zahra Mongashti is a physical chemistry researcher with expertise in computational and theoretical chemistry, focusing on electrochemistry, thermodynamic parameters, density function analysis, deformation density, and molecular confinement. Their work explores host–guest interactions, charge transfer processes, molecular encapsulation, and adsorption phenomena, employing advanced computational tools such as Gaussian, GaussView, AIM2000, Densitizer, and Origin. Notable studies include analyses of chlorinated hydrocarbons within C60 fullerene, lithium–oxygen interactions, halozhenal quinone thermodynamics, and methane–C60 interactions. They have published multiple theoretical studies, contributing to SCOPUS with 2 documents, reflecting emerging yet impactful research in molecular modeling.
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