Theoretical Chemistry – ACMM – Department of Chemistry – Faculty of Sciences – Vrije Universiteit Amsterdam – Radboud University IMM
We develop powerful chemical theories and methods that enable prediction and rational design of target molecules, nano-structures and materials as well as new, more efficient chemical processes toward these compounds, based on quantum mechanics and computer simulations. See also Research Portal (Scopus), publons (Web of Science) and selected publications.
Prof. Dr. F.M. (Matthias) Bickelhaupt
Vrije Universiteit Amsterdam
Radboud University, Nijmegen
Mail and visitor address: click here
Tel: +31-20-59 87617 (Secr: 87600)
Email: F.M.Bickelhaupt@vu.nl
Secr: N.Wijker@vu.nl
(323) A. K. Narsaria, J. D. Ruijter, T. A. Hamlin, A. W. Ehlers, C. Fonseca Guerra, K. Lammertsma, F. M. Bickelhaupt ––– "Performance of TDDFT Vertical Excitation Energies of Core-Substituted Naphthalene Diimides" ––– J. Comput. Chem. 2020, 41, 1448-1455 (Cover).