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Slanina, Zdeněk, Uhlík, Filip, Akasaka, Takeshi, Lu, Xing, Adamowicz, Ludwik (2025) CO2@C84: DFT Calculations of Structure and Energetics. Inorganics, 13 (1). doi:10.3390/inorganics13010019

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Reference TypeJournal (article/letter/editorial)
TitleCO2@C84: DFT Calculations of Structure and Energetics
JournalInorganics
AuthorsSlanina, ZdeněkAuthor
Uhlík, FilipAuthor
Akasaka, TakeshiAuthor
Lu, XingAuthor
Adamowicz, LudwikAuthor
Year2025 (January 14)Volume13
Issue1
PublisherMDPI AG
DOIdoi:10.3390/inorganics13010019Search in ResearchGate
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Mindat Ref. ID17961871Long-form Identifiermindat:1:5:17961871:0
GUID0
Full ReferenceSlanina, Zdeněk, Uhlík, Filip, Akasaka, Takeshi, Lu, Xing, Adamowicz, Ludwik (2025) CO2@C84: DFT Calculations of Structure and Energetics. Inorganics, 13 (1). doi:10.3390/inorganics13010019
Plain TextSlanina, Zdeněk, Uhlík, Filip, Akasaka, Takeshi, Lu, Xing, Adamowicz, Ludwik (2025) CO2@C84: DFT Calculations of Structure and Energetics. Inorganics, 13 (1). doi:10.3390/inorganics13010019
In(2024, December) Inorganics Vol. 13 (1). MDPI AG

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See Also

These are possibly similar items as determined by title/reference text matching only.

Slanina, Zdeněk, Uhlík, Filip, Lu, Xing, Akasaka, Takeshi, Adamowicz, Ludwik (2023) H2O·HF@C70: Encapsulation Energetics and Thermodynamics. Inorganics, 11 (3) 123 doi:10.3390/inorganics11030123
Slanina, Zdeněk, Uhlík, Filip, Akasaka, Takeshi, Lu, Xing, Adamowicz, Ludwik (2024) A Computational Characterization of CH4@C60. Inorganics, 12 (3) 64 doi:10.3390/inorganics12030064
Slanina, Zdeněk, Uhlík, Filip, Akasaka, Takeshi, Lu, Xing, Adamowicz, Ludwik (2023) Pr@C82 Metallofullerene: Calculated Isomeric Populations. Inorganics, 11 (7) MDPI AG. 313 doi:10.3390/inorganics11070313
Slanina, Zdeněk, Uhlík, Filip, Akasaka, Takeshi, Lu, Xing, Adamowicz, Ludwik (2024) La2C2@D5(450)-C100: Calculated High Energy Gain in Encapsulation. Inorganics, 12 (7) 196 doi:10.3390/inorganics12070196
Slanina, Zdeněk, Uhlík, Filip, Nagase, Shigeru, Akasaka, Takeshi, Lu, Xing, Adamowicz, Ludwik (2018) Cyclic water-trimer encapsulation intoD2(22)-C84fullerene. Chemical Physics Letters, 695. 245-248 doi:10.1016/j.cplett.2018.02.006
Slanina, Zdeněk, Uhlík, Filip, Bao, Lipiao, Akasaka, Takeshi, Lu, Xing, Adamowicz, Ludwik (2019) Calculated relative populations for the Eu@C82 isomers. Chemical Physics Letters, 726. 29-33 doi:10.1016/j.cplett.2019.04.011
Slanina, Zdeněk, Uhlík, Filip, Pan, Changwang, Akasaka, Takeshi, Lu, Xing, Adamowicz, Ludwik (2018) Computed stabilization for a giant fullerene endohedral: Y2C2@C1(1660)-C108. Chemical Physics Letters, 710. 147-149 doi:10.1016/j.cplett.2018.08.051
Slanina, Zdeněk, Uhlík, Filip, Lee, Shyi-Long, Adamowicz, Ludwik, Akasaka, Takeshi, Nagase, Shigeru (2011) Calculations of Metallofullerene Yields. Journal of Computational and Theoretical Nanoscience, 8 (11). 2233-2239 doi:10.1166/jctn.2011.1950
Slanina, Zdeněk, Uhlík, Filip, Lee, Shyi-Long, Adamowicz, Ludwik, Nagase, Shigeru (2008) Lix@C60: Calculations of the Encapsulation Energetics and Thermodynamics. International Journal of Molecular Sciences, 9. 1841-1850 doi:10.3390/ijms9091841
Slanina, Zdeněk, Uhlík, Filip, Lee, Shyi-Long, Adamowicz, Ludwik, Nagase, Shigeru (2008) MPWB1K calculations of stepwise encapsulations: Lix@C60. Chemical Physics Letters, 463. 121-123 doi:10.1016/j.cplett.2008.07.105
Slanina, Zdeněk, Uhlík, Filip, Juha, Libor, Tanabe, Kazutoshi, Adamowicz, Ludwik, Ōsawa, Eiji (2004) Computations on C84O: thermodynamic, kinetic and photochemical stability. Journal of Molecular Structure: THEOCHEM, 684. 129-133 doi:10.1016/j.theochem.2004.07.015
 
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