DOI: 10.1021/ct900567c. Performance of CASPT2 and DFT for Relative Spin-State Energetics of Heme Models

Performance of CASPT2 and DFT for Relative Spin-State Energetics of Heme Models

10.1021/ct900567c

Crossref journal-article

American Chemical Society (ACS)

Journal of Chemical Theory and Computation (316)

Bibliography

Vancoillie, S., Zhao, H., RadoÅ, M., & Pierloot, K. (2010). Performance of CASPT2 and DFT for Relative Spin-State Energetics of Heme Models. Journal of Chemical Theory and Computation, 6(2), 576â582.

Authors 4

Steven Vancoillie (first)
Hailiang Zhao (additional)
Mariusz Radoń (additional)
Kristine Pierloot (additional)

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Dates

Type	When
Created	15 years, 7 months ago (Jan. 6, 2010, 9:54 a.m.)
Deposited	1 year, 5 months ago (March 22, 2024, 10:38 a.m.)
Indexed	1 month ago (Aug. 5, 2025, 8:55 a.m.)
Issued	15 years, 8 months ago (Jan. 6, 2010)
Published	15 years, 8 months ago (Jan. 6, 2010)
Published Online	15 years, 8 months ago (Jan. 6, 2010)
Published Print	15 years, 6 months ago (Feb. 9, 2010)

Funders 0

None

BibTeX

@article{Vancoillie_2010, title={Performance of CASPT2 and DFT for Relative Spin-State Energetics of Heme Models}, volume={6}, ISSN={1549-9626}, url={http://dx.doi.org/10.1021/ct900567c}, DOI={10.1021/ct900567c}, number={2}, journal={Journal of Chemical Theory and Computation}, publisher={American Chemical Society (ACS)}, author={Vancoillie, Steven and Zhao, Hailiang and Radoń, Mariusz and Pierloot, Kristine}, year={2010}, month=jan, pages={576–582} }

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