Publikationen von Kalishankar Bhattacharyya

Zeitschriftenartikel (4)

2022
Zeitschriftenartikel
Ghosh, S.; Bhattacharyya, K.: Origin of the Failure of Density Functional Theories in Predicting Inverted Singlet–Triplet Gaps. The Journal of Physical Chemistry A 126 (8), S. 1378 - 1385 (2022)
2021
Zeitschriftenartikel
Bhattacharyya, K.: Can TDDFT render the electronic excited states ordering of Azine derivative? A closer investigation with DLPNO-STEOM-CCSD. Chemical Physics Letters 779 (9), 138827 (2021)
Zeitschriftenartikel
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 125 (8), S. 4379 - 4390 (2021)
2020
Zeitschriftenartikel
Fritzsche, A.-M.; Scholz, S.; Krasowska, M.; Bhattacharyya, K.; Toma, A. M.; Silvestru, C.; Korb, M.; Rüffer, T.; Lang, H.; Auer, A. A. et al.; Mehring, M.: Evaluation of bismuth-based dispersion energy donors – synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives. Physical Chemistry Chemical Physics 22 (18), S. 10189 - 10211 (2020)
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