Mojgan Heshmat

9PUBLICATIONS
5CO-AUTHORS
Catalysis and mechanisms of reactionsComputational chemistryRadiation and matterComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Chemical and thermal processes in energy and combustion
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Publications (9)

|Mar 20, 2026
The importance of counterion association in the calculated binding constants of Ca2+-aminopolycarboxylate complexes.

Mojgan Heshmat, Pavlo Kostetskyy, Guanna Li

|Jun 14, 2021
Alternative Pathway of CO2 Hydrogenation by Lewis-Pair-Functionalized UiO-66 MOF Revealed by Metadynamics Simulations.

Mojgan Heshmat

|Mar 03, 2021
Lewis Acidity of Carbon in Activated Carbonyl Group vs. B(C6 F5 )3 for Metal-Free Catalysis of Hydrogenation of Carbonyl Compounds.

Mojgan Heshmat

|Jul 16, 2020
Optimizing the Energetics of FLP-Type H2 Activation by Modulating the Electronic and Structural Properties of the Lewis Acids: A DFT Study.

Mojgan Heshmat, Bernd Ensing

|Sep 20, 2018
Unraveling the Origin of Solvent Induced Enantioselectivity in the Henry Reaction with Cinchona Thiourea as Catalyst.

Mojgan Heshmat

|Sep 01, 2018
Water and a Borohydride/Hydronium Intermediate in the Borane-Catalyzed Hydrogenation of Carbonyl Compounds with H2 in Wet Ether: A Computational Study.

Mojgan Heshmat, Timofei Privalov

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Frequent Collaborators

4 joint publications

Timofei Privalov

1 joint publications

Bernd Ensing

1 joint publications

Pavlo Kostetskyy

1 joint publications

Guanna Li