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Mojgan Heshmat

Showing results (11-20 of 21) with videos related to

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The Journal of Physical Chemistry. A|July 16, 2020
Optimizing the Energetics of FLP-Type H<sub>2</sub> Activation by Modulating the Electronic and Structural Properties of the Lewis Acids: A DFT StudyMojgan Heshmat, Bernd Ensing
The Journal of Physical Chemistry. A|August 15, 2018
H<sub>2</sub> Cleavage by Frustrated Lewis Pairs Characterized by the Energy Decomposition Analysis of Transition States: An Alternative to the Electron Transfer and Electric Field ModelsMojgan Heshmat, Timofei Privalov
Chemistry (Weinheim an Der Bergstrasse, Germany)|November 25, 2016
A Prediction of Proton-Catalyzed Hydrogenation of Ketones in Lewis Basic Solvent through Facile Splitting of Hydrogen MoleculesMojgan Heshmat, Timofei Privalov
The Journal of Chemical Physics|July 10, 2017
Liberation of H<sub>2</sub> from (o-C<sub>6</sub>H<sub>4</sub>Me)<sub>3</sub>P-H<sup>(+)</sup> + <sup>(-)</sup>H-B(p-C<sub>6</sub>F<sub>4</sub>H)<sub>3</sub> ion-pair: A transition-state in the minimum energy path versus the transient species in Born-Oppenheimer molecular dynamicsMaoping Pu, Mojgan Heshmat, Timofei Privalov
Physical Chemistry Chemical Physics : PCCP|March 14, 2014
Solvent induced enhancement of enantiomeric excess: a case study of the Henry reaction with cinchona thiourea as the catalystMojgan Heshmat, Andranik Kazaryan, Evert Jan Baerends
The Journal of Physical Chemistry. A|March 3, 2012
On the equivalence of conformational and enantiomeric changes of atomic configuration for vibrational circular dichroism signsMojgan Heshmat, Valentin Paul Nicu, Evert Jan Baerends
Physical Chemistry Chemical Physics : PCCP|April 6, 2011
Signatures of counter-ion association and hydrogen bonding in vibrational circular dichroism spectraValentin Paul Nicu, Mojgan Heshmat, Evert Jan Baerends
Polymers|January 11, 2024
Catalytic Ring-Opening Polymerisation of Cyclic Ethylene Carbonate: Importance of Elementary Steps for Determining Polymer Properties Revealed via DFT-MTD Simulations Validated Using Kinetic MeasurementsDaniel Brüggemann, Martin R Machat, Reinhard Schomäcker, et al.
RSC Advances|March 20, 2026
The importance of counterion association in the calculated binding constants of Ca<sup>2+</sup>-aminopolycarboxylate complexesMojgan Heshmat, Pavlo Kostetskyy, Guanna Li, et al.
The Journal of Physical Chemistry. A|June 7, 2014
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 sulfoxideMojgan Heshmat, Evert Jan Baerends, Prasad L Polavarapu, et al.
Pageof 3

Showing results (11-20 of 21) with videos related to

Sort By:
Pageof 3
The Journal of Physical Chemistry. A|July 16, 2020
Optimizing the Energetics of FLP-Type H<sub>2</sub> Activation by Modulating the Electronic and Structural Properties of the Lewis Acids: A DFT StudyMojgan Heshmat, Bernd Ensing
The Journal of Physical Chemistry. A|August 15, 2018
H<sub>2</sub> Cleavage by Frustrated Lewis Pairs Characterized by the Energy Decomposition Analysis of Transition States: An Alternative to the Electron Transfer and Electric Field ModelsMojgan Heshmat, Timofei Privalov
Chemistry (Weinheim an Der Bergstrasse, Germany)|November 25, 2016
A Prediction of Proton-Catalyzed Hydrogenation of Ketones in Lewis Basic Solvent through Facile Splitting of Hydrogen MoleculesMojgan Heshmat, Timofei Privalov
The Journal of Chemical Physics|July 10, 2017
Liberation of H<sub>2</sub> from (o-C<sub>6</sub>H<sub>4</sub>Me)<sub>3</sub>P-H<sup>(+)</sup> + <sup>(-)</sup>H-B(p-C<sub>6</sub>F<sub>4</sub>H)<sub>3</sub> ion-pair: A transition-state in the minimum energy path versus the transient species in Born-Oppenheimer molecular dynamicsMaoping Pu, Mojgan Heshmat, Timofei Privalov
Physical Chemistry Chemical Physics : PCCP|March 14, 2014
Solvent induced enhancement of enantiomeric excess: a case study of the Henry reaction with cinchona thiourea as the catalystMojgan Heshmat, Andranik Kazaryan, Evert Jan Baerends
The Journal of Physical Chemistry. A|March 3, 2012
On the equivalence of conformational and enantiomeric changes of atomic configuration for vibrational circular dichroism signsMojgan Heshmat, Valentin Paul Nicu, Evert Jan Baerends
Physical Chemistry Chemical Physics : PCCP|April 6, 2011
Signatures of counter-ion association and hydrogen bonding in vibrational circular dichroism spectraValentin Paul Nicu, Mojgan Heshmat, Evert Jan Baerends
Polymers|January 11, 2024
Catalytic Ring-Opening Polymerisation of Cyclic Ethylene Carbonate: Importance of Elementary Steps for Determining Polymer Properties Revealed via DFT-MTD Simulations Validated Using Kinetic MeasurementsDaniel Brüggemann, Martin R Machat, Reinhard Schomäcker, et al.
RSC Advances|March 20, 2026
The importance of counterion association in the calculated binding constants of Ca<sup>2+</sup>-aminopolycarboxylate complexesMojgan Heshmat, Pavlo Kostetskyy, Guanna Li, et al.
The Journal of Physical Chemistry. A|June 7, 2014
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 sulfoxideMojgan Heshmat, Evert Jan Baerends, Prasad L Polavarapu, et al.
Pageof 3