Relativistic DFT investigation for reaction energies and electronic/bonding properties of Schiff-base polypyrrolic uranyl(V) complexes: effects of group 14-functionalized uranyl exo-oxo group

Xiu-Jun Zheng, Qing-Jiang Pan, Yan-Ping Dong

Open source

DOI
10.1007/s00894-025-06382-z
Published
2025-05-14
Container
Journal of Molecular Modeling
Publisher
Springer Science and Business Media LLC
Open access
unknown

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BibTeX

@article{allodium:10.1007/s00894-025-06382-z,
  title = {Relativistic DFT investigation for reaction energies and electronic/bonding properties of Schiff-base polypyrrolic uranyl(V) complexes: effects of group 14-functionalized uranyl exo-oxo group},
  author = {Xiu-Jun Zheng and Qing-Jiang Pan and Yan-Ping Dong},
  year = {2025},
  journal = {Journal of Molecular Modeling},
  doi = {10.1007/s00894-025-06382-z},
  url = {https://doi.org/10.1007/s00894-025-06382-z}
}

RIS

TY  - JOUR
TI  - Relativistic DFT investigation for reaction energies and electronic/bonding properties of Schiff-base polypyrrolic uranyl(V) complexes: effects of group 14-functionalized uranyl exo-oxo group
AU  - Xiu-Jun Zheng
AU  - Qing-Jiang Pan
AU  - Yan-Ping Dong
PY  - 2025
JO  - Journal of Molecular Modeling
DO  - 10.1007/s00894-025-06382-z
UR  - https://doi.org/10.1007/s00894-025-06382-z
ER  - 

APA

Zheng, X., Pan, Q., & Dong, Y. (2025). Relativistic DFT investigation for reaction energies and electronic/bonding properties of Schiff-base polypyrrolic uranyl(V) complexes: effects of group 14-functionalized uranyl exo-oxo group. Journal of Molecular Modeling. https://doi.org/10.1007/s00894-025-06382-z

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