Rebecca Sure

Publication Activity (10 Years)

Years Active: 2013-2021
Publications (10 Years): 3

Top Topics

Computationally Efficient

Multiresolution

Theoretical Computer Science

Top Venues

J. Comput. Chem.

J. Comput. Aided Mol. Des.

Publications

Rebecca Sure, Moad el Mahdali, Alex Plajer, Peter Deglmann
Towards a converged strategy for including microsolvation in reaction mechanism calculations. J. Comput. Aided Mol. Des. 35 (4) (2021)
Lukas N. Wirz, Ralf Tonner, Andreas Hermann, Rebecca Sure, Peter Schwerdtfeger
. J. Comput. Chem. 37 (1) (2016)
Rebecca Sure, Ralf Tonner, Peter Schwerdtfeger
A systematic study of rare gas atoms encapsulated in small fullerenes using dispersion corrected density functional theory. J. Comput. Chem. 36 (2) (2015)
Rebecca Sure, Stefan Grimme
Corrected small basis set Hartree-Fock method for large systems. J. Comput. Chem. 34 (19) (2013)