Interoperable workflows by exchanging grid-based data between quantum-chemical program packages

Kevin Focke, Matteo De Santis, Mario Wolter, Jessica A. Martinez B, Valérie Vallet, André Severo Pereira Gomes, Małgorzata Olejniczak, Christoph R. Jacob

Open source

DOI
10.1063/5.0201701
Published
2024-04-28
Container
The Journal of Chemical Physics
Publisher
AIP Publishing
Open access
unknown

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BibTeX

@article{allodium:10.1063/5.0201701,
  title = {Interoperable workflows by exchanging grid-based data between quantum-chemical program packages},
  author = {Kevin Focke and Matteo De Santis and Mario Wolter and Jessica A. Martinez B and Valérie Vallet and André Severo Pereira Gomes and Małgorzata Olejniczak and Christoph R. Jacob},
  year = {2024},
  journal = {The Journal of Chemical Physics},
  doi = {10.1063/5.0201701},
  url = {https://doi.org/10.1063/5.0201701}
}

RIS

TY  - JOUR
TI  - Interoperable workflows by exchanging grid-based data between quantum-chemical program packages
AU  - Kevin Focke
AU  - Matteo De Santis
AU  - Mario Wolter
AU  - Jessica A. Martinez B
AU  - Valérie Vallet
AU  - André Severo Pereira Gomes
AU  - Małgorzata Olejniczak
AU  - Christoph R. Jacob
PY  - 2024
JO  - The Journal of Chemical Physics
DO  - 10.1063/5.0201701
UR  - https://doi.org/10.1063/5.0201701
ER  - 

APA

Focke, K., Santis, M. D., Wolter, M., B, J. A. M., Vallet, V., Gomes, A. S. P., Olejniczak, M., & Jacob, C. R. (2024). Interoperable workflows by exchanging grid-based data between quantum-chemical program packages. The Journal of Chemical Physics. https://doi.org/10.1063/5.0201701

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