Stefan Vogt-Geisse

Publication Activity (10 Years)

Years Active: 2016-2022
Publications (10 Years): 3

Top Topics

Complex Structures

Design Automation

Chemical Reactions

Top Venues

J. Comput. Chem.

J. Chem. Inf. Model.

Publications

Duván González, Luis Macaya, Carlos Castillo-Orellana, Toon Verstraelen, Stefan Vogt-Geisse, Esteban Vöhringer-Martinez
Nonbonded Force Field Parameters from Minimal Basis Iterative Stockholder Partitioning of the Molecular Electron Density Improve CB7 Host-Guest Affinity Predictions. J. Chem. Inf. Model. 62 (17) (2022)
Oscar A. Douglas-Gallardo, David Adrian Saez, Stefan Vogt-Geisse, Esteban Vöhringer-Martinez
Electronic structure benchmark calculations of inorganic and biochemical carboxylation reactions. J. Comput. Chem. 40 (13) (2019)
Stefan Vogt-Geisse, Alejandro Toro-Labbé
Chemical potential and reaction electronic flux in symmetry controlled reactions. J. Comput. Chem. 37 (19) (2016)