Raghavan B Sunoj

35PUBLICATIONS
27CO-AUTHORS
Computational chemistryOrganic chemical synthesisChemical and thermal processes in energy and combustionStatistical mechanics in chemistryBiomolecular modelling and design
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Publications (35)

|Jul 10, 2026
DeepMech: a machine learning framework for chemical reaction mechanism prediction.

|Apr 20, 2026
Metal-free deoxygenative borylation of pyrazinyl ethers via an unusual boron-walking mechanism.

|Jul 09, 2025
Mechanistic Insights into Rh-Catalyzed Regio- and Enantioselective Hydroformylation of Cyclopropyl-Functionalized Trisubstituted Alkenes.

Aiswarya Purushothaman, Shuailong Li, Shilpa Shilpa

|Jul 04, 2025
A priori Design of [Mn(i)-Cinchona] catalyst for Asymmetric Hydrogenation of Ketones and β-Keto carbonyl Derivatives.

Soumen Paira, Nupur Jain, Debarsee Adhikari

|Jun 25, 2025
Molecular Machine Learning Approach to Enantioselective C-H Bond Activation Reactions: From Generative AI to Experimental Validation.

Ajnabiul Hoque, Taiwei Chang, Jin-Quan Yu

|Oct 02, 2024
Reinforcement Learning for Improving Chemical Reaction Performance.

Ajnabiul Hoque, Mihir Surve, Shivaram Kalyanakrishnan

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Frequent Collaborators

3 joint publications

Christopher M Hadad

3 joint publications

Buddhadeb Chattopadhyay

2 joint publications

Soumi Tribedi

2 joint publications

Yernaidu Reddi