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Collect. Czech. Chem. Commun. 2008, 73, 1525-1551
https://doi.org/10.1135/cccc20081525

Coupled Cluster Study of Polycyclopentanes: Structure and Properties of C5H2n, n = 0-4

Libor Veisa, Petr Čárskya, Jiří Pittnera and Josef Michlb,a,*

a J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, v. v. i., Dolejškova 3, 182 23 Prague 8, Czech Republic
b Department of Chemistry and Biochemistry, University of Colorado, Boulder, Colorado 80309-0215, U.S.A.

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  • Watrous Alexandria G., Westbrook Brent R., Fortenberry Ryan C.: Theoretical spectra and energetics for c-C3HC2H, l-C5H2, and bipyramidal D3h C5H2. Front. Astron. Space Sci. 2022, 9. <https://doi.org/10.3389/fspas.2022.1051535>
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  • Thimmakondu Venkatesan S., Ulusoy Inga, Wilson Angela K., Karton Amir: Theoretical Studies of Two Key Low-Lying Carbenes of C5H2 Missing in the Laboratory. J. Phys. Chem. A 2019, 123, 6618. <https://doi.org/10.1021/acs.jpca.9b06036>
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  • Lang Jakub, Švaňa Matej, Demel Ondřej, Brabec Jiri, Kedžuch Stanislav, Noga Jozef, Kowalski Karol, Pittner Jiří: A MRCC study of the isomerisation of cyclopropane. Molecular Physics 2017, 115, 2743. <https://doi.org/10.1080/00268976.2017.1317112>
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  • Bhaskaran-Nair Kiran, Demel Ondřej, Pittner Jiří: Multireference Mukherjee’s coupled cluster method with triexcitations in the linked formulation: Efficient implementation and applications. The Journal of Chemical Physics 2010, 132. <https://doi.org/10.1063/1.3376053>
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