Prabha Vadivelu

4PUBLICATIONS
0CO-AUTHORS
Supramolecular chemistryChemical and thermal processes in energy and combustionComputational chemistryTheoretical quantum chemistry
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Publications (4)

|Aug 17, 2026
Tuning the selectivity of [MnV(TAML)(O)]- towards allylic oxidation using an axial ligand and a Brønsted acid - a DFT study.

|Mar 09, 2026
Tuning graphene oxide selectivity under normal reaction conditions using dopants and nucleophiles towards cyclic or polycarbonate formation: A DFT study.

Madhuri Priya Sivaramakrishnan, Prabha Vadivelu

|Nov 22, 2022
Density Functional Theory Study on [Ni0(1,10-Phenanthroline)]-Catalyzed Reductive Carboxylation of Alkyl and Aryl Halides with CO2: Effect of the Lewis Acid and β-H Elimination Side Reaction in the Crucial CO2 Insertion Step.

Prabha Vadivelu, Krithika Ganesan

|Aug 19, 2021
A Density Functional Theory Study on Comparing the Reactivity of [Mn(13-TMC)(OOH)]2+ and [Mn(13-TMC)(O2)]+ for the Sulfoxidation of Thioanisole: Elucidation of Substrate and Non-Redox Metal Ion Effects.

Krithika Ganesan, Ilakya Kaliyaperumal, Prabha Vadivelu

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