Shashank Vittal Rao

4PUBLICATIONS
8CO-AUTHORS
Atomic and molecular physicsComputational chemistryMain group metal chemistryIntegrable systems (classical and quantum)
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Publications (4)

|Oct 13, 2025
A reflection on modelling and examination of paramagnetic molecules for magnetic storage and molecular spintronics.

Mihail Atanasov, Shashank Vittal Rao, Frank Neese

|Dec 19, 2024
Extended Active Space Ab Initio Ligand Field Theory: Applications to Transition-Metal Ions.

Shashank V Rao, Dimitrios Maganas, Kantharuban Sivalingam

|Jun 16, 2023
Air-stable four-coordinate cobalt(ii) single-ion magnets: experimental and ab initio ligand field analyses of correlations between dihedral angles and magnetic anisotropy.

Sandeep K Gupta, Shashank V Rao, Serhiy Demeshko

|Apr 05, 2022
Study of the most relevant spin-orbit coupling descriptions of magnetic excitations in a series of lanthanide complexes.

Shashank Vittal Rao, Matteo Piccardo, Alessandro Soncini

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Frequent Collaborators

3 joint publications

Mihail Atanasov

3 joint publications

Frank Neese

1 joint publications

Sandeep K Gupta

1 joint publications

Sebastian Dechert