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The Journal of Chemical Physics|October 9, 2020
Accurate prediction of core-level spectra of radicals at density functional theory cost via square gradient minimization and recoupling of mixed configurationsDiptarka Hait, Eric A Haugen, Zheyue Yang, et al.
Communications Physics|September 16, 2024
Measurement of coherent vibrational dynamics with X-ray Transient Absorption Spectroscopy simultaneously at the Carbon K- and Chlorine L2,3- edgesAndrew D Ross, Diptarka Hait, Valeriu Scutelnic, et al.
The Journal of Physical Chemistry. A|October 14, 2024
Attosecond Probing of Coherent Vibrational Dynamics in CBr4Jen-Hao Ou, Diptarka Hait, Patrick Rupprecht, et al.
Journal of Chemical Theory and Computation|March 12, 2020
Modern Approaches to Exact Diagonalization and Selected Configuration Interaction with the Adaptive Sampling CI MethodNorm M Tubman, C Daniel Freeman, Daniel S Levine, et al.
The Journal of Physical Chemistry Letters|August 23, 2018
Bimolecular Reaction Dynamics in the Phenyl-Silane System: Exploring the Prototype of a Radical Substitution MechanismMichael Lucas, Aaron M Thomas, Tao Yang, et al.
The Journal of Chemical Physics|July 19, 2023
Probing C-I bond fission in the UV photochemistry of 2-iodothiophene with core-to-valence transient absorption spectroscopyBenjamin W Toulson, Diptarka Hait, Davide Faccialà, et al.
Science (New York, N.Y.)|May 4, 2023
Femtosecond symmetry breaking and coherent relaxation of methane cations via x-ray spectroscopyEnrico Ridente, Diptarka Hait, Eric A Haugen, et al.
The Journal of Chemical Physics|November 6, 2024
Extending GPU-accelerated Gaussian integrals in the TeraChem software package to f type orbitals: Implementation and applicationsYuanheng Wang, Diptarka Hait, K Grace Johnson, et al.
Chemical Science|April 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 bondsYehao Qiu, Alistair J Sterling, Kevin K Ikeda, et al.
Chemical Science|March 29, 2024
Understanding ion-transfer reactions in silver electrodissolution and electrodeposition from first-principles calculations and experimentsRichard Kang, Yang Zhao, Diptarka Hait, et al.
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