Manikandan Paranjothy

26PUBLICATIONS
18CO-AUTHORS
Computational chemistrySolid state chemistryReaction kinetics and dynamicsOrganometallic chemistryCatalysis and mechanisms of reactions
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Publications (26)

|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

|Feb 09, 2026
Bioinspired Manganese Catalyzed Direct Deamination of Primary Amines With Water Forming Carboxylic Acids and Ketones.

Sachin Jalwal, Akash Gutal, Rohit Kumar Saini

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

Akash Gutal, Manikandan Paranjothy

|Jul 07, 2025
Theoretical Investigation of Isomerization and Dissociation Reactions in the CF3CH2Cl ⇄ CF2ClCH2F System.

Anitta Regina, Manikandan Paranjothy

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Frequent Collaborators

4 joint publications

Akash Popat Gutal

3 joint publications

Upakarasamy Lourderaj

3 joint publications

Subrata Chakraborty

2 joint publications

Mahesh Kumar