Diptarka Hait

36PUBLICATIONS
87CO-AUTHORS
Catalysis and mechanisms of reactionsFree radical chemistryMain group metal chemistryComputational chemistryTheoretical quantum chemistry
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Publications (36)

|Aug 15, 2026
Elucidating Norrish type I reactive pathways by ultrafast X-ray absorption spectroscopy.

|Aug 12, 2026
The Force Awakens a Dormant Chemiluminescent Pathway in 1,2-Dioxetane.

|Apr 24, 2026
Origins of the selectivity of late transition metals of Group 9 and Group 10 for oxidative addition of C-H vs. C-Cl bonds.

|Mar 19, 2026
Complete Active Space Self-Consistent Field with GPU-Accelerated Density Fitting.

Ruiyan Wang, Yuanheng Wang, Lixin Lu

|Nov 05, 2025
Locating Ab Initio Transition States via Geodesic Construction on Machine-Learned Potential Energy Surfaces.

Diptarka Hait, Jan D Estrada Pabón, Martin Stöhr

|Aug 26, 2025
Extending Orbital-Optimized Density Functional Theory to L-Edge XPS and Beyond: Spin-Orbit Coupling via Nonorthogonal Quasi-Degenerate Perturbation Theory.

Richard Kang, Leonardo A Cunha, Diptarka Hait

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Frequent Collaborators

27 joint publications

Martin Head-Gordon

8 joint publications

Todd J Martínez

7 joint publications

Stephen R Leone

5 joint publications

Daniel M Neumark