Search

Categories

Organic Chemistry

(1)

Theoretical and Computational Chemistry

(3)

Content Types

Working Paper

(3)

Published Date

Last 3 years

(3)

Last 12 months

(1)

Keywords

Authors

Felix Bänsch

3 results in Authors: Felix Bänsch

Theoretical and Computational Chemistry

Making the InChI FAIR and sustainable by moving to open-source on GitHub

Sonja Herres-Pawlis, Gerd Blanke, Jan Brammer, Djordje Baljozovic, Nauman Khan, Frank Lange, Felix Bänsch, Ulrich Schatzschneider, Richard Hartshorn, Clare Tovee

Version 2 posted 31 July 2024

276

Downloads

Theoretical and Computational Chemistry

An automated Calculation Pipeline for Differential Pair Interaction Energies with Molecular Force Fields using the Tinker Molecular Modeling Package

Felix Bänsch, Mirco Daniel, Harald Lanig, Christoph Steinbeck, Achim Zielesny

Version 1 posted 08 February 2024

298

Downloads

Theoretical and Computational Chemistry

MORTAR – A Rich Client Application for in silico Molecule Fragmentation

Felix Bänsch, Jonas Schaub, Betül Sevindik, Samuel Behr, Julian Zander, Christoph Steinbeck, Achim Zielesny

Version 2 posted 01 December 2022

426

Downloads