Publications of Kalishankar Bhattacharyya

Moon, H. W.; Wang, F.; Bhattacharyya, K.; Planas, O.; Leutzsch, M.; Nöthling, N.; Auer, A. A.; Cornella, J. Mechanistic Studies on the Bismuth-Catalyzed Transfer Hydrogenation of Azoarenes. Angewandte Chemie International Edition 2023, 62, e202313578.

Bhattacharyya, K. Comparative Analyses of Data Driven Machine Learning Models for TADF Emitters. ChemRxiv: the Preprint Server for Chemistry 2023.

Bhattacharyya, K.; Auer, A. A. Oxygen Evolution Reaction Electrocatalysis on Cobalt(Oxy)Hydroxide: Role of Fe Impurities. The Journal of Physical Chemistry C 2022, 126, 18623–18635.

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.

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.

Schiavo, E.; Bhattacharyya, K.; Mehring, M.; Auer, A. A. Are Heavy Pnictogen-π Interactions Really “π Interactions”? Chemistry – A European Journal 2021, 27, 14520–14526.

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, 138827.

Bhattacharyya, K.; Poidevin, C.; Auer, A. A. Structure and Reactivity of IrO_x Nanoparticles for the Oxygen Evolution Reaction in Electrocatalysis: An Electronic Structure Theory Study. The Journal of Physical Chemistry C 2021, 125, 4379–4390.

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.