Mojgan Heshmat

Alternative Pathway of CO₂ Hydrogenation by Lewis-Pair-Functionalized UiO-66 MOF Revealed by Metadynamics Simulations

Mojgan Heshmat · The Journal of Physical Chemistry C · 2020 · 37 citations · Full text

Theoretical study of vitamin properties from combined QM-MM methods: Comparison of chemical shifts and energy

Majid Monajjemi, Mojgan Heshmat, H.H. Haeri et al. · Russian Journal of Physical Chemistry A · 2006 · 35 citations

<b>Solvent effect on <sup>14</sup>N NMR shielding of glycine, serine, leucine, and threonine: comparison between chemical shifts and energy versus dielectric constant</b>

Majid Monajjemi, Mojgan Heshmat, Hossein Aghaei et al. · Bulletin of the Chemical Society of Ethiopia · 2007 · 28 citations · Full text

Amino Acids, Magnetic Resonance, Molecule-based Material +20

Signatures of counter-ion association and hydrogen bonding in vibrational circular dichroism spectra

Valentin Paul Nicu, Mojgan Heshmat, Evert Jan Baerends · Physical Chemistry Chemical Physics · 2011 · 28 citations

The Importance of Large-Amplitude Motions for the Interpretation of Mid-Infrared Vibrational Absorption and Circular Dichroism Spectra: 6,6′-Dibromo-[1,1′-binaphthalene]-2,2′-diol in Dimethyl Sulfoxide

Mojgan Heshmat, Evert Jan Baerends, Prasad L. Polavarapu et al. · The Journal of Physical Chemistry A · 2014 · 25 citations