Unveiling phase-dependent structure-property relationships in cyclohexaphosphane (P6H6) molecular blocks: A DFT and TD-DFT study of electronic structure, optical response, and intermolecular interactions

Mohammad Qasemnazhand, Farhad Khoeini, Ali Ben Ahmed

Open source

DOI
10.1016/j.jmgm.2026.109615
Published
2027-01
Container
Journal of Molecular Graphics and Modelling
Publisher
Elsevier BV
Open access
unknown

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BibTeX

@article{allodium:10.1016/j.jmgm.2026.109615,
  title = {Unveiling phase-dependent structure-property relationships in cyclohexaphosphane (P6H6) molecular blocks: A DFT and TD-DFT study of electronic structure, optical response, and intermolecular interactions},
  author = {Mohammad Qasemnazhand and Farhad Khoeini and Ali Ben Ahmed},
  year = {2027},
  journal = {Journal of Molecular Graphics and Modelling},
  doi = {10.1016/j.jmgm.2026.109615},
  url = {https://doi.org/10.1016/j.jmgm.2026.109615}
}

RIS

TY  - JOUR
TI  - Unveiling phase-dependent structure-property relationships in cyclohexaphosphane (P6H6) molecular blocks: A DFT and TD-DFT study of electronic structure, optical response, and intermolecular interactions
AU  - Mohammad Qasemnazhand
AU  - Farhad Khoeini
AU  - Ali Ben Ahmed
PY  - 2027
JO  - Journal of Molecular Graphics and Modelling
DO  - 10.1016/j.jmgm.2026.109615
UR  - https://doi.org/10.1016/j.jmgm.2026.109615
ER  - 

APA

Qasemnazhand, M., Khoeini, F., & Ahmed, A. B. (2027). Unveiling phase-dependent structure-property relationships in cyclohexaphosphane (P6H6) molecular blocks: A DFT and TD-DFT study of electronic structure, optical response, and intermolecular interactions. Journal of Molecular Graphics and Modelling. https://doi.org/10.1016/j.jmgm.2026.109615

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