Shanti Gopal Patra

10PUBLICATIONS
13CO-AUTHORS
Metal cluster chemistryTheoretical quantum chemistryFree radical chemistryStatistical mechanics in chemistryCheminformatics and quantitative structure-activity relationships
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Publications (10)

|May 27, 2026
σ-Aromaticity in Trinuclear and Tetranuclear Transition Metal Carbonyl Clusters: A Comprehensive Magnetic and Electronic Analysis.

|Oct 03, 2025
Rationalizing the DCD Model in Transition Metal Carbonyls: A Conceptual Density Functional Theory Analysis.

Shanti Gopal Patra, Chhanda Paul, Nirmal Dutta

|Jul 19, 2025
Mechanochemical Diels-Alder Reactions: Conceptual Density Functional Theory and Information-Theoretic Analyses.

Shanti Gopal Patra, Arpita Poddar, Ruchi Jha

|Apr 25, 2024
Asymmetric catalysis by chiral FLPs: A computational mini-review.

Shanti Gopal Patra

|Nov 10, 2022
Quantitative Structure-Toxicity Relationship in Bioactive Molecules from a Conceptual DFT Perspective.

Ranita Pal, Shanti Gopal Patra, Pratim Kumar Chattaraj

|Oct 20, 2022
Enhancing the catalytic OER performance of MoS2via Fe and Co doping.

Krishnamoorthy Sathiyan, Totan Mondal, Poulami Mukherjee

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Frequent Collaborators

4 joint publications

Pratim Kumar Chattaraj

2 joint publications

Dan Meyerstein

2 joint publications

Totan Mondal

1 joint publications

Amir Mizrahi