Publications of 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 7 (1), pp. 115 - 127 (2017)

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

Sen, K.; Thiel, W.: Role of Two Alternate Water Networks in Compound I Formation in P450eryF. The Journal of Physical Chemistry B 118 (11), pp. 2810 - 2820 (2014)

Polyak, I.; Boulanger, E.; Sen, K.; Thiel, W.: A microiterative intrinsic reaction coordinate method for large QM/MM systems. Physical Chemistry Chemical Physics 15 (34), pp. 14188 - 14195 (2013)

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 9 (1), pp. 533 - 542 (2013)