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Software: Publications
Software
Quantum-regions Interconnected by Local Descriptions
Calculations for multi-level approaches
M. Swart and F. M. Bickelhaupt
Universitat de Girona, Catalonia, Spain
Vrije Universiteit Amsterdam, The Netherlands
2006-2017
Amsterdam Density Functional
DFT engine to understand and predict structure, reactivity, and spectra of molecules
F. M. Bickelhaupt, C. Fonseca Guerra, et al.
Scientific Computing & Modeling, Amsterdam, The Netherlands
2006-2021
PyFrag
Designed to facilitate the analysis of reaction mechanisms
C. Fonseca Guerra, T. A. Hamlin, F. M. Bickelhaupt, et al.
Vrije Universiteit Amsterdam, The Netherlands
2007-2020
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Under Development
iOS app Hückel
C. Glazer, C. Fonseca Guerra, F. M. Bickelhaupt
Vrije Universiteit Amsterdam, The Netherlands
2016
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