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Volumn 132, Issue 43, 2010, Pages 15093-15095

Simple combustion production and characterization of octahydro[60]fullerene with a non-IPR C60 cage

Author keywords

[No Author keywords available]

Indexed keywords

[60] FULLERENE; ARC-BURNING; CATALOREACTANT; COMBUSTION METHOD; DFT CALCULATION; DIFFUSION COMBUSTION; IPR FULLERENES; NMR SPECTROSCOPY;

EID: 78049383480     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja108316e     Document Type: Article
Times cited : (29)

References (38)
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    • DNP refers to double numerical basis sets plus polarization. For the PBE density functional, see
    • DNP refers to double numerical basis sets plus polarization. For the PBE density functional, see
  • 27
    • 4243943295 scopus 로고    scopus 로고
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    • Perdew, J. P., Burke, K., and Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865 The PBE/DNP calculations were performed with the Dmol3 code implemented in Material Studio 3.0, Accelrys Inc. Delley, B. J. Chem. Phys. 1990, 92, 508
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
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  • 29
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    • 60 cage, see
    • 60 cage, see
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    • For the GIAO method, see:, J. Am. Chem. Soc. 1990, 112, 8251 and references therein. The PM3 and GIAO-B3LYP calculations were performed with the Gaussian 09 A.02 suite of programs.; et al. Gaussian09, Rev. A.02; Gaussian, Inc.: Wallingford CT, 2009
    • Lee, C., Yang, W., and Parr, R. G. Phys. Rev. B 1988, 37, 785 For the GIAO method, see: Wolinski, K., Hilton, J. F., and Pulay, P. J. J. Am. Chem. Soc. 1990, 112, 8251 and references therein. The PM3 and GIAO-B3LYP calculations were performed with the Gaussian 09 A.02 suite of programs. Frisch, M. J.; et al. Gaussian09, Rev. A.02; Gaussian, Inc.: Wallingford CT, 2009.
    • (1988) Phys. Rev. B , vol.37 , pp. 785
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    • 4. See the Supporting Information for details
    • 4. See the Supporting Information for details.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.