Rebecca Sure

According to our database, Rebecca Sure authored at least 4 papers between 2013 and 2021.

Collaborative distances:

• Dijkstra number of six.
• Erdős number of five.

2021

Towards a converged strategy for including microsolvation in reaction mechanism calculations.

Rebecca Sure, Moad el Mahdali, Alex Plajer, Peter Deglmann

J. Comput. Aided Mol. Des., 2021

2016

From small fullerenes to the graphene limit: A harmonic force-field method for fullerenes and a comparison to density functional calculations for Goldberg-Coxeter fullerenes up to C₉₈₀.

Lukas N. Wirz, Ralf Tonner, Andreas Hermann, Rebecca Sure, Peter Schwerdtfeger

J. Comput. Chem., 2016

2015

A systematic study of rare gas atoms encapsulated in small fullerenes using dispersion corrected density functional theory.

Rebecca Sure, Ralf Tonner, Peter Schwerdtfeger

J. Comput. Chem., 2015

2013

Corrected small basis set Hartree-Fock method for large systems.

Rebecca Sure, Stefan Grimme

J. Comput. Chem., 2013