N-Heterocyclic Carbenes: A Benchmark Study on their Singlet–Triplet Energy Gap as a Critical Molecular Descriptor (bibtex)

by Zois, Konstantinos P., Danopoulos, Andreas A. and Tzeli, Demeter

Reference:

N-Heterocyclic Carbenes: A Benchmark Study on their Singlet–Triplet Energy Gap as a Critical Molecular Descriptor (Zois, Konstantinos P., Danopoulos, Andreas A. and Tzeli, Demeter), In ChemPhysChem, volume n/a, 2025.

Bibtex Entry:

@article{doi:10.1002/cphc.202500012,
        call={pr015},
        acronym={TrMeCo},
        fulltitle={Transition metals complexes },
        pi={Demeter Tzeli},
        affiliation={National and Kapodistrian University of Athens},
        researchfield={Chemical Sciences and Materials},
	author = {Zois, Konstantinos P. and Danopoulos, Andreas A. and Tzeli, Demeter},
	title = {N-Heterocyclic Carbenes: A Benchmark Study on their Singlet–Triplet Energy Gap as a Critical Molecular Descriptor},
	journal = {ChemPhysChem},
	volume = {n/a},
	number = {n/a},
	year = {2025},
	bibyear = {2025},
	pages = {2500012},
	keywords = {ab initio, density functional theories, HOMO–LUMO gaps, N-heterocyclic carbenes, singlet–triplet gaps},
	doi = {https://doi.org/10.1002/cphc.202500012},
	url = {https://chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1002/cphc.202500012},
	eprint = {https://chemistry-europe.onlinelibrary.wiley.com/doi/pdf/10.1002/cphc.202500012},
}