Publications of Kalishankar Bhattacharyya
All genres
Journal Article (9)
2023
Journal Article
62 (49), e202313578 (2023)
Mechanistic Studies on the Bismuth-Catalyzed Transfer Hydrogenation of Azoarenes. Angewandte Chemie International Edition
Journal Article
Comparative Analyses of Data Driven Machine Learning Models for TADF Emitters. ChemRxiv: the Preprint Server for Chemistry (2023)
2022
Journal Article
126 (44), pp. 18623 - 18635 (2022)
Oxygen Evolution Reaction Electrocatalysis on Cobalt(oxy)hydroxide: Role of Fe Impurities. The Journal of Physical Chemistry C
Journal Article
144 (36), pp. 16535 - 16544 (2022)
Radical Activation of N–H and O–H Bonds at Bismuth(II). Journal of the American Chemical Society
Journal Article
126 (8), pp. 1378 - 1385 (2022)
Origin of the Failure of Density Functional Theories in Predicting Inverted Singlet–Triplet Gaps. The Journal of Physical Chemistry A 2021
Journal Article
27 (58), pp. 14520 - 14526 (2021)
Are Heavy Pnictogen-π Interactions Really “π Interactions”? Chemistry – A European Journal
Journal Article
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
Journal Article
125 (8), pp. 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
Journal Article
22 (18), pp. 10189 - 10211 (2020)
Evaluation of bismuth-based dispersion energy donors – synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives. Physical Chemistry Chemical Physics