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Volumn 121, Issue 45, 1999, Pages 10487-10495

Selective supramolecular porphyrin/fullerene interactions

Author keywords

[No Author keywords available]

Indexed keywords

FULLERENE; PORPHYRIN; TOLUENE;

EID: 0033579142     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja992165h     Document Type: Article
Times cited : (385)

References (43)
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    • note
    • 4-methylPP = tetra-p-tolylporphyrin.
  • 17
    • 13044279164 scopus 로고    scopus 로고
    • note
    • Typical distances are given in refs 21-25 of ref 14.
  • 18
    • 13044266088 scopus 로고    scopus 로고
    • note
    • Calculations carried out using CERIUS 2, version 3.5, 1997; Molecular Simulations: San Diego, CA.
  • 19
    • 0042041206 scopus 로고
    • Universal Force Field, version 1.02: Rappé, A. K.; Casewit, C. J.; Colwell, K. S.; Goddard, W. A.; Skiff, W. M. J. Am. Chem. Soc. 1992, 114, 10024-10035. PCFF Force Field: Hwang, M. J.; Stockfisch, T. P.; Hagler, A. T. J. Am. Chem. Soc. 1994, 116, 2515-2525; Sun, H.; Mumby, S. J.; Maple, J. R.; Hagler, A. T. J. Am. Chem. Soc. 1994, 116, 2978-2987; Sun, H.; Mumby, S. J.; Maple, J. R.; Hagler, A. T. J. Phys. Chem. 1995, 99, 5873-5882.
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  • 20
    • 0001345932 scopus 로고
    • Universal Force Field, version 1.02: Rappé, A. K.; Casewit, C. J.; Colwell, K. S.; Goddard, W. A.; Skiff, W. M. J. Am. Chem. Soc. 1992, 114, 10024-10035. PCFF Force Field: Hwang, M. J.; Stockfisch, T. P.; Hagler, A. T. J. Am. Chem. Soc. 1994, 116, 2515-2525; Sun, H.; Mumby, S. J.; Maple, J. R.; Hagler, A. T. J. Am. Chem. Soc. 1994, 116, 2978-2987; Sun, H.; Mumby, S. J.; Maple, J. R.; Hagler, A. T. J. Phys. Chem. 1995, 99, 5873-5882.
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    • Hwang, M.J.1    Stockfisch, T.P.2    Hagler, A.T.3
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    • 0001658015 scopus 로고
    • Universal Force Field, version 1.02: Rappé, A. K.; Casewit, C. J.; Colwell, K. S.; Goddard, W. A.; Skiff, W. M. J. Am. Chem. Soc. 1992, 114, 10024-10035. PCFF Force Field: Hwang, M. J.; Stockfisch, T. P.; Hagler, A. T. J. Am. Chem. Soc. 1994, 116, 2515-2525; Sun, H.; Mumby, S. J.; Maple, J. R.; Hagler, A. T. J. Am. Chem. Soc. 1994, 116, 2978-2987; Sun, H.; Mumby, S. J.; Maple, J. R.; Hagler, A. T. J. Phys. Chem. 1995, 99, 5873-5882.
    • (1994) J. Am. Chem. Soc. , vol.116 , pp. 2978-2987
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    • 0006786720 scopus 로고
    • Universal Force Field, version 1.02: Rappé, A. K.; Casewit, C. J.; Colwell, K. S.; Goddard, W. A.; Skiff, W. M. J. Am. Chem. Soc. 1992, 114, 10024-10035. PCFF Force Field: Hwang, M. J.; Stockfisch, T. P.; Hagler, A. T. J. Am. Chem. Soc. 1994, 116, 2515-2525; Sun, H.; Mumby, S. J.; Maple, J. R.; Hagler, A. T. J. Am. Chem. Soc. 1994, 116, 2978-2987; Sun, H.; Mumby, S. J.; Maple, J. R.; Hagler, A. T. J. Phys. Chem. 1995, 99, 5873-5882.
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  • 23
    • 13044313854 scopus 로고    scopus 로고
    • note
    • Full geometry optimizations using the semiempirical PM3 model and the ab initio Hartree-Fock method with a minimal STO-3G basis set using Spartan 4.0; Wave function Inc.: Irvine, CA 92612.
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    • note
    • 14


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