DOI: 10.1021/ja052534b. Chemical Reactivity of Sc3N@C80 and La2@C80

Chemical Reactivity of Sc3N@C80 and La2@C80

10.1021/ja052534b

Crossref journal-article

American Chemical Society (ACS)

Journal of the American Chemical Society (316)

Bibliography

Iiduka, Y., Ikenaga, O., Sakuraba, A., Wakahara, T., Tsuchiya, T., Maeda, Y., Nakahodo, T., Akasaka, T., Kako, M., Mizorogi, N., & Nagase, S. (2005). Chemical Reactivity of Sc3N@C80 and La2@C80. Journal of the American Chemical Society, 127(28), 9956â9957.

Authors 11

Yuko Iiduka (first)
Ozora Ikenaga (additional)
Akihiro Sakuraba (additional)
Takatsugu Wakahara (additional)
Takahiro Tsuchiya (additional)
Yutaka Maeda (additional)
Tsukasa Nakahodo (additional)
Takeshi Akasaka (additional)
Masahiro Kako (additional)
Naomi Mizorogi (additional)
Shigeru Nagase (additional)

References 29 Referenced 114

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10.1021/j100173a002 / J. Phys. Chem. by Chai Y. (1991)
{'key': 'ja052534bb00003/ja052534bb00003_1', 'volume-title': 'A New Family of Carbon Clusters', 'author': 'Endofullerenes', 'year': '2002'} / A New Family of Carbon Clusters by Endofullerenes (2002)
10.1038/366123a0 / Nature by Bethune D. S. (1993)
10.1016/S0009-2614(97)01328-6 / Chem. Phys. Lett. by Kobayashi K. (1998)
{'key': 'ja052534bb00006/ja052534bb00006_1', 'first-page': '9368', 'volume': '116', 'author': 'Kikuchi K.', 'year': '1994', 'journal-title': 'J. Am. Chem. Soc.'} / J. Am. Chem. Soc. by Kikuchi K. (1994)
10.1016/0009-2614(93)E1269-M / Chem. Phys. Lett. by Kikuchi K. (1993)
{'key': 'ja052534bb00008/ja052534bb00008_1', 'first-page': '11121', 'volume': '100', 'author': 'Ding J.', 'year': '1996', 'journal-title': 'J. Phys. Chem.'} / J. Phys. Chem. by Ding J. (1996)
10.1021/ja961601m / J. Am. Chem. Soc. by Ding J. (1996)
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{'key': 'ja052534bb00020/ja052534bb00020_1', 'first-page': '236', 'volume': '245', 'author': 'Kobayashi K.', 'year': '1995', 'journal-title': 'Chem. Phys. Lett.'} / Chem. Phys. Lett. by Kobayashi K. (1995)
10.1002/anie.199521391 / Angew. Chem., Int. Ed. Engl. by Akasaka T. (1995)
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Geometries of Sc3N@C80and La2@C80were optimized with hybrid density functional theory at the B3LYP24-26level using the Gaussian 03 program.27The effective core potential and the corresponding basis set28were used for Sc and La, and electrons in the outermost core orbitals were explicitly treated as valence electrons. The contraction schemes employed for the basis sets were (5s5p5d)/[4s4p3d] for Sc and (5s5p3d)/[4s4p3d] for La in standard notation. The split-valence d-polarized 6-31G*29basis set was used for C and N.
10.1103/PhysRevA.38.3098 / Phys. Rev. A by Becke A. D. (1988)
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Dates

Type	When
Created	20 years, 1 month ago (July 13, 2005, 8 a.m.)
Deposited	3 years, 11 months ago (Sept. 20, 2021, 1:53 p.m.)
Indexed	1 month, 1 week ago (July 25, 2025, 6:12 a.m.)
Issued	20 years, 2 months ago (June 18, 2005)
Published	20 years, 2 months ago (June 18, 2005)
Published Online	20 years, 2 months ago (June 18, 2005)
Published Print	20 years, 2 months ago (July 1, 2005)

Funders 0

None

BibTeX

@article{Iiduka_2005, title={Chemical Reactivity of Sc3N@C80 and La2@C80}, volume={127}, ISSN={1520-5126}, url={http://dx.doi.org/10.1021/ja052534b}, DOI={10.1021/ja052534b}, number={28}, journal={Journal of the American Chemical Society}, publisher={American Chemical Society (ACS)}, author={Iiduka, Yuko and Ikenaga, Ozora and Sakuraba, Akihiro and Wakahara, Takatsugu and Tsuchiya, Takahiro and Maeda, Yutaka and Nakahodo, Tsukasa and Akasaka, Takeshi and Kako, Masahiro and Mizorogi, Naomi and Nagase, Shigeru}, year={2005}, month=jun, pages={9956–9957} }

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