Publikationen von Kakali Sen

Escorcia, A. M.; Sen, K.; Daza, M. C.; Doerr, M.; Thiel, W. Quantum Mechanics/Molecular Mechanics Insights into the Enantioselectivity of the O-Acetylation of (R,S)-Propranolol Catalyzed by Candida antarctica Lipase B. ACS Catalysis 2017, 7, 115–127.

Sen, K.; Crespo-Otero, R.; Thiel, W.; Barbatti, M. Electronic structure of fullerene-squaraine complexes for photovoltaic devices. Computational & Theoretical Chemistry 2014, 1040-1041, 237–242.

Sen, K.; Thiel, W. Role of Two Alternate Water Networks in Compound I Formation in P450eryF. The Journal of Physical Chemistry B 2014, 118, 2810–2820.

Polyak, I.; Boulanger, E.; Sen, K.; Thiel, W. A microiterative intrinsic reaction coordinate method for large QM/MM systems. Physical Chemistry Chemical Physics 2013, 15, 14188–14195.

Sen, K.; Crespo-Otero, R.; Weingart, O.; Thiel, W.; Barbatti, M. Interfacial States in Donor–Acceptor Organic Heterojunctions: Computational Insights into Thiophene-Oligomer/Fullerene Junctions. Journal of Chemical Theory and Computation 2013, 9, 533–542.