Publikationen von Kakali Sen
Alle Typen
Zeitschriftenartikel (5)
2017
Zeitschriftenartikel
7 (1), S. 115 - 127 (2017)
Quantum Mechanics/Molecular Mechanics Insights into the Enantioselectivity of the O-Acetylation of (R,S)-Propranolol Catalyzed by Candida antarctica Lipase B. ACS Catalysis 2014
Zeitschriftenartikel
1040-1041, S. 237 - 242 (2014)
Electronic structure of fullerene-squaraine complexes for photovoltaic devices. Computational & Theoretical Chemistry
Zeitschriftenartikel
118 (11), S. 2810 - 2820 (2014)
Role of Two Alternate Water Networks in Compound I Formation in P450eryF. The Journal of Physical Chemistry B 2013
Zeitschriftenartikel
15 (34), S. 14188 - 14195 (2013)
A microiterative intrinsic reaction coordinate method for large QM/MM systems. Physical Chemistry Chemical Physics
Zeitschriftenartikel
9 (1), S. 533 - 542 (2013)
Interfacial States in Donor–Acceptor Organic Heterojunctions: Computational Insights into Thiophene-Oligomer/Fullerene Junctions. Journal of Chemical Theory and Computation