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 H2S sensing in Pd-functionalized In2S3flakes.

|Mar 12, 2026
Direct chemical dynamics simulations of the CH3O- + CH3I reaction: substitution vs. 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 HO3˙: 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