Steven M. Maley, Graham R. Lief, Richard M. Buck, Orson L. Sydora, Qing Yang, Steven M. Bischof, Daniel H. Ess. Density functional theory and CCSD(T) evaluation of ionization potentials, redox potentials, and bond energies related to zirconocene polymerization catalysts. Journal of Computational Chemistry, 44(4):506-515, February 2023. [doi]
@article{MaleyLBSYBE23,
title = {Density functional theory and CCSD(T) evaluation of ionization potentials, redox potentials, and bond energies related to zirconocene polymerization catalysts},
author = {Steven M. Maley and Graham R. Lief and Richard M. Buck and Orson L. Sydora and Qing Yang and Steven M. Bischof and Daniel H. Ess},
year = {2023},
month = {February},
doi = {10.1002/jcc.26890},
url = {https://doi.org/10.1002/jcc.26890},
researchr = {https://researchr.org/publication/MaleyLBSYBE23},
cites = {0},
citedby = {0},
journal = {Journal of Computational Chemistry},
volume = {44},
number = {4},
pages = {506-515},
}