Shruti Moorthy

9PUBLICATIONS
16CO-AUTHORS
Catalysis and mechanisms of reactionsTheory and design of materialsInorganic materials (incl. nanomaterials)Main group metal chemistryOrganometallic chemistry
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Publications (9)

|Jul 01, 2026
Dynamic Proton Sharing and Second-Sphere Gating Control Catalytic States in [NiFe] Hydrogenase.

|Jun 24, 2025
Electronic Structure, Covalency, and Magnetic Anisotropy in [AnCp3] (where An = Th-Cf) Complexes: Insights from First Principle Calculations.

Ibtesham Tarannum, Prem Prakash Sahu, Shruti Moorthy

|Feb 19, 2025
Single-ion magnet behaviour in highly axial lanthanide mononitrides encapsulated in boron nitride nanotubes: a quantum chemical investigation.

Kusum Kumari, Shruti Moorthy, Saurabh Kumar Singh

|May 24, 2024
A highly anisotropic family of hexagonal bipyramidal Dy(III) unsaturated 18-crown-6 complexes exceeding the blockade barrier over 2700 K: a computational exploration.

Shruti Moorthy, Ibtesham Tarannum, Kusum Kumari

|Oct 04, 2023
Field induced single ion magnet behavior in Co<sup>II</sup> complexes in a distorted square pyramidal geometry.

Atanu Dey, Junaid Ali, Shruti Moorthy

|Oct 03, 2023
Understanding electrostatics and covalency effects in highly anisotropic organometallic sandwich dysprosium complexes [Dy(C<sub></sub>R<sub></sub>)<sub>2</sub>] (where R = H, SiH<sub>3</sub>, CH<sub>3</sub> and <i>m</i> = 4 to 9): a computational perspective.

Ibtesham Tarannum, Shruti Moorthy, Saurabh Kumar Singh

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Frequent Collaborators

8 joint publications

Saurabh Kumar Singh

3 joint publications

Vadapalli Chandrasekhar

3 joint publications

Ibtesham Tarannum

2 joint publications

Kusum Kumari