Conceptual DFT Meets Machine Learning: A New Route to Enhanced Diels-Alder Reactivity.

Jacobs M, Vermeersch L, De Vleeschouwer F

DOI: 10.1002/jcc.70277
Published: 2025 Dec 5
Container: Journal of computational chemistry
Publisher: Not recorded
Open access: no

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Cite this work

BibTeX

@article{allodium:10.1002/jcc.70277,
  title = {Conceptual DFT Meets Machine Learning: A New Route to Enhanced Diels-Alder Reactivity.},
  author = {Jacobs M and Vermeersch L and De Vleeschouwer F},
  year = {2025},
  journal = {Journal of computational chemistry},
  doi = {10.1002/jcc.70277},
  url = {https://doi.org/10.1002/jcc.70277}
}

RIS

TY  - JOUR
TI  - Conceptual DFT Meets Machine Learning: A New Route to Enhanced Diels-Alder Reactivity.
AU  - Jacobs M
AU  - Vermeersch L
AU  - De Vleeschouwer F
PY  - 2025
JO  - Journal of computational chemistry
DO  - 10.1002/jcc.70277
UR  - https://doi.org/10.1002/jcc.70277
ER  -

APA

M, J., L, V., & F, D. V. (2025). Conceptual DFT Meets Machine Learning: A New Route to Enhanced Diels-Alder Reactivity.. Journal of computational chemistry. https://doi.org/10.1002/jcc.70277

Source records

pubmed · retrieved 2026-11-10T18:06:13.791Z
europe-pmc · retrieved 2026-11-10T18:06:13.793Z