Publications of Kalishankar Bhattacharyya

Journal Article (5)

2022
Journal Article
Yang, X.; Reijerse, E. J.; Bhattacharyya, K.; Leutzsch, M.; Kochius, M.; Nöthling, N.; Busch, J.; Schnegg, A.; Auer, A. A.; Cornella, J. Radical Activation of N–H and O–H Bonds at Bismuth(II). Journal of the American Chemical Society 2022, 144, 16535–16544.
Journal Article
Ghosh, S.; Bhattacharyya, K. Origin of the Failure of Density Functional Theories in Predicting Inverted Singlet–Triplet Gaps. The Journal of Physical Chemistry A 2022, 126, 1378–1385.
2021
Journal Article
Bhattacharyya, K. Can TDDFT Render the Electronic Excited States Ordering of Azine Derivative? A Closer Investigation with DLPNO-STEOM-CCSD. Chemical Physics Letters 2021, 779.
Journal Article
Bhattacharyya, K.; Poidevin, C.; Auer, A. A. Structure and Reactivity of IrOx Nanoparticles for the Oxygen Evolution Reaction in Electrocatalysis: An Electronic Structure Theory Study. The Journal of Physical Chemistry C 2021, 125, 4379–4390.
2020
Journal Article
Fritzsche, A.-M.; Scholz, S.; Krasowska, M.; Bhattacharyya, K.; Toma, A. M.; Silvestru, C.; Korb, M.; Rüffer, T.; Lang, H.; Auer, A. A.; Mehring, M. Evaluation of Bismuth-Based Dispersion Energy Donors – Synthesis, Structure and Theoretical Study of 2-Biphenylbismuth(Iii) Derivatives. Physical Chemistry Chemical Physics 2020, 22, 10189–10211.
Go to Editor View