Rishu Khurana

12PUBLICATIONS
17CO-AUTHORS
Theoretical quantum chemistryOptimisationFree radical chemistryMain group metal chemistryOrganometallic chemistry
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Publications (12)

|Jun 25, 2026
From Oxo to Oxyl to Biradical: Systematic Multireference Calculations of Methane Activation at MOF Nodes.

|Jul 17, 2025
Enabling Multireference Calculations on Multimetallic Systems with Graphic Processing Units.

Valay Agarawal, Rishu Khurana, Cong Liu

|Apr 23, 2025
Quantum Spin Transport Through Blatter's Diradicals and Triradicals.

Ashima Bajaj, Shahjad Ali, Rishu Khurana

|Oct 25, 2024
Unveiling the Redox Noninnocence of Metallocorroles: Exploring K-Edge X-ray Absorption Near-Edge Spectroscopy with a Multiconfigurational Wave Function Approach.

Rishu Khurana, Cong Liu

|Aug 25, 2023
High-Spin Blatter's Triradicals.

Rishu Khurana, Ashima Bajaj, K R Shamasundar

|Sep 21, 2022
Single-Molecule Magnetism in Linear Fe(I) Complexes with Aufbau and Non-Aufbau Ground States.

Rishu Khurana, Md Ehesan Ali

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Frequent Collaborators

8 joint publications

Md Ehesan Ali

5 joint publications

Ashima Bajaj

3 joint publications

Cong Liu

2 joint publications

Laura Gagliardi