Arup Sarkar

17PUBLICATIONS
43CO-AUTHORS
Quantum information, computation and communicationMain group metal chemistryTheoretical quantum chemistryTransition metal chemistryNuclear engineering (incl. fuel enrichment and waste processing and storage)
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Publications (17)

|Jul 29, 2025
A Multireference Picture of Electronic Excited States in Vanadyl and Copper Tetraphenyl Porphyrin Molecular Qubits.

Arup Sarkar, Alessandro Lunghi

|Sep 23, 2024
A homoleptic Fe(iv) ketimide complex with a low-lying excited state.

Phoebe R Hertler, Arturo Sauza-de la Vega, Andrea Darù

|Oct 27, 2023
Multiconfiguration Pair-Density Functional Theory for Vertical Excitation Energies in Actinide Molecules.

Arup Sarkar, Laura Gagliardi

|Oct 03, 2023
Understanding Antiferromagnetic and Ligand Field Effects on Spin Crossover in a Triple-Decker Dimeric Cr(II) Complex.

Arup Sarkar, Matthew R Hermes, Christopher J Cramer

|Jun 21, 2023
Elucidating Actinide-Pertechnetate and Actinide-Perrhenate Bonding via a Family of Th-TcO4 and Th-ReO4 Frameworks and Solutions.

Mohammad Shohel, Jenna Bustos, Gautam D Stroscio

|Apr 05, 2023
Broad Electronic Modulation of Two-Dimensional Metal-Organic Frameworks over Four Distinct Redox States.

Lei Wang, Arup Sarkar, Garrett L Grocke

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Frequent Collaborators

8 joint publications

Gopalan Rajaraman

6 joint publications

Laura Gagliardi

3 joint publications

John S Anderson

2 joint publications

Moya A Hay