Akash Popat Gutal

5PUBLICATIONS
8CO-AUTHORS
Computational chemistrySolid state chemistryReaction kinetics and dynamicsCatalysis and mechanisms of reactionsEcohydrology
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Publications (5)

|Jun 09, 2026
Symmetry-Match Fraction for Active-Space Selection: A Simple Route to Accurate Reaction Energies in VQE/UCCSD.

|May 27, 2026
Synergistic H<sub>2</sub>S sensing in Pd-functionalized In<sub>2</sub>S<sub>3</sub>flakes.

|Mar 12, 2026
Direct chemical dynamics simulations of the CH<sub>3</sub>O<sup>-</sup> + CH<sub>3</sub>I reaction: substitution <i>vs</i>. proton transfer.

Anitta Regina, Akash Gutal, Manikandan Paranjothy

|Oct 15, 2025
Quasi-classical trajectory study of the CN- + CH3I reaction on a high-dimensional neural network PES.

Akash Gutal, Manikandan Paranjothy

|Sep 09, 2025
The puzzle of high lifetime and low stabilization of HO<sub>3</sub>˙: rationalization and prediction.

Philips Kumar Rai, Akash Gutal, Pradeep Kumar

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Frequent Collaborators

4 joint publications

Manikandan Paranjothy

1 joint publications

Pradeep Kumar

1 joint publications

Anitta Regina

1 joint publications

Ashok Kumar