Concepedia

Rebecca Sure

RS

19

Publications

1.7K

Citations

17

H-Index

2012

Active since

Affiliations

University of Bonn(Current)

Philipps University of Marburg

Massey University

Lehigh University

Center for Theoretical Physics

Rebecca Sure is an author at University of Bonn specializing in chemistry, engineering, and computational chemistry.

ORCID

Top concepts

Publications per year

2012–2021

19

Publications

19

Corrected small basis set Hartree‐Fock method for large systems

Rebecca Sure, Stefan Grimme · Journal of Computational Chemistry · 2013 · 527 citations

Comprehensive Benchmark of Association (Free) Energies of Realistic Host–Guest Complexes

Rebecca Sure, Stefan Grimme · Journal of Chemical Theory and Computation · 2015 · 247 citations

Borylene Complexes (BH)L<sub>2</sub> and Nitrogen Cation Complexes (N<sup>+</sup>)L<sub>2</sub>: Isoelectronic Homologues of Carbones CL<sub>2</sub>

Mehmet Ali Çelik, Rebecca Sure, Susanne Klein et al. · Chemistry - A European Journal · 2012 · 143 citations

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Blind Prediction of Binding Affinities for Charged Supramolecular Host–Guest Systems: Achievements and Shortcomings of DFT-D3

Rebecca Sure, Jens Antony, Stefan Grimme · The Journal of Physical Chemistry B · 2014 · 98 citations

HYDROPHOBE Challenge: A Joint Experimental and Computational Study on the Host–Guest Binding of Hydrocarbons to Cucurbiturils, Allowing Explicit Evaluation of Guest Hydration Free-Energy Contributions

Khaleel I. Assaf, Mara Florea, Jens Antony et al. · The Journal of Physical Chemistry B · 2017 · 89 citations · Full text

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