Publikationen von Kalishankar Bhattacharyya
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Zeitschriftenartikel (9)
2023
Zeitschriftenartikel
Mechanistic Studies on the Bismuth-Catalyzed Transfer Hydrogenation of Azoarenes. Angewandte Chemie International Edition, e202313578 (2023)
Zeitschriftenartikel
Comparative Analyses of Data Driven Machine Learning Models for TADF Emitters. ChemRxiv: the Preprint Server for Chemistry (2023)
2022
Zeitschriftenartikel
126 (44), S. 18623 - 18635 (2022)
Oxygen Evolution Reaction Electrocatalysis on Cobalt(oxy)hydroxide: Role of Fe Impurities. The Journal of Physical Chemistry C
Zeitschriftenartikel
144 (36), S. 16535 - 16544 (2022)
Radical Activation of N–H and O–H Bonds at Bismuth(II). Journal of the American Chemical Society
Zeitschriftenartikel
126 (8), S. 1378 - 1385 (2022)
Origin of the Failure of Density Functional Theories in Predicting Inverted Singlet–Triplet Gaps. The Journal of Physical Chemistry A 2021
Zeitschriftenartikel
27 (58), S. 14520 - 14526 (2021)
Are Heavy Pnictogen-π Interactions Really “π Interactions”? Chemistry – A European Journal
Zeitschriftenartikel
779 (9), 138827 (2021)
Can TDDFT render the electronic excited states ordering of Azine derivative? A closer investigation with DLPNO-STEOM-CCSD. Chemical Physics Letters
Zeitschriftenartikel
125 (8), S. 4379 - 4390 (2021)
Structure and Reactivity of IrOx Nanoparticles for the Oxygen Evolution Reaction in Electrocatalysis: An Electronic Structure Theory Study. The Journal of Physical Chemistry C 2020
Zeitschriftenartikel
22 (18), S. 10189 - 10211 (2020)
Evaluation of bismuth-based dispersion energy donors – synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives. Physical Chemistry Chemical Physics