An efficient approach to estimate electronic couplings in molecular pairs using molecular orbital grids: A generalization of CubeMap

Manuel Pérez-Escribano, Pau Armada, Raquel Rubert-Albiol, Enrique Ortí, Joaquín Calbo, Jesús Cerdá, Juan Aragó

Open source

DOI
10.1063/5.0351808
Published
2026-11-05
Container
The Journal of Chemical Physics
Publisher
AIP Publishing
Open access
unknown

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BibTeX

@article{allodium:10.1063/5.0351808,
  title = {An efficient approach to estimate electronic couplings in molecular pairs using molecular orbital grids: A generalization of CubeMap},
  author = {Manuel Pérez-Escribano and Pau Armada and Raquel Rubert-Albiol and Enrique Ortí and Joaquín Calbo and Jesús Cerdá and Juan Aragó},
  year = {2026},
  journal = {The Journal of Chemical Physics},
  doi = {10.1063/5.0351808},
  url = {https://doi.org/10.1063/5.0351808}
}

RIS

TY  - JOUR
TI  - An efficient approach to estimate electronic couplings in molecular pairs using molecular orbital grids: A generalization of CubeMap
AU  - Manuel Pérez-Escribano
AU  - Pau Armada
AU  - Raquel Rubert-Albiol
AU  - Enrique Ortí
AU  - Joaquín Calbo
AU  - Jesús Cerdá
AU  - Juan Aragó
PY  - 2026
JO  - The Journal of Chemical Physics
DO  - 10.1063/5.0351808
UR  - https://doi.org/10.1063/5.0351808
ER  - 

APA

Pérez-Escribano, M., Armada, P., Rubert-Albiol, R., Ortí, E., Calbo, J., Cerdá, J., & Aragó, J. (2026). An efficient approach to estimate electronic couplings in molecular pairs using molecular orbital grids: A generalization of CubeMap. The Journal of Chemical Physics. https://doi.org/10.1063/5.0351808

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