Publikationen von Kalishankar Bhattacharyya
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Zeitschriftenartikel (4)
2022
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
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