Beatriz von der Esch

Publication Activity (10 Years)

Years Active: 2021-2022
Publications (10 Years): 3

Top Topics

Minimally Invasive

Electron Transfer

Top Venues

Journal of chemical theory and computation

Physical chemistry chemical physics : PCCP

This page only lists publications with an associated author ORCID identifier.

Publications

Johannes C B Dietschreit, Beatriz von der Esch, Christian Ochsenfeld
Exponential averaging versus umbrella sampling for computing the QM/MM free energy barrier of the initial step of the desuccinylation reaction catalyzed by sirtuin 5. Physical chemistry chemical physics : PCCP 24 (13) (2022)
Alexandra Stan, Beatriz von der Esch, Christian Ochsenfeld
Fully Automated Generation of Prebiotically Relevant Reaction Networks from Optimized Nanoreactor Simulations. Journal of chemical theory and computation 18 (11) (2022)
Beatriz von der Esch, Laurens D M Peters, Lena Sauerland, Christian Ochsenfeld
Quantitative Comparison of Experimental and Computed IR-Spectra Extracted from Ab Initio Molecular Dynamics. Journal of chemical theory and computation 17 (2) (2021)