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Volumn 271, Issue 5251, 1996, Pages 942-945

Ab initio calculations of fullerenes

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EID: 0000445851     PISSN: 00368075     EISSN: None     Source Type: Journal    
DOI: 10.1126/science.271.5251.942     Document Type: Article
Times cited : (114)

References (83)
  • 4
    • 34250872670 scopus 로고
    • H. W. Kroto, Nature 329, 529 (1987); T. G. Schmalz, W A Seitz, D. J. Klein, G E. Hite, J. Am. Chem. Soc. 110, 1113 (1988).
    • (1987) Nature , vol.329 , pp. 529
    • Kroto, H.W.1
  • 6
    • 0344150952 scopus 로고
    • F Diederich et al., Science 252, 548 (1991); F. Diederich et al., ibid. 254, 1768 (1991); K Kikuchi et al, Nature 357, 142 (1992)
    • (1991) Science , vol.252 , pp. 548
    • Diederich, F.1
  • 7
    • 0000406114 scopus 로고
    • F Diederich et al., Science 252, 548 (1991); F. Diederich et al., ibid. 254, 1768 (1991); K Kikuchi et al, Nature 357, 142 (1992)
    • (1991) Science , vol.254 , pp. 1768
    • Diederich, F.1
  • 8
    • 33748898705 scopus 로고
    • F Diederich et al., Science 252, 548 (1991); F. Diederich et al., ibid. 254, 1768 (1991); K Kikuchi et al, Nature 357, 142 (1992)
    • (1992) Nature , vol.357 , pp. 142
    • Kikuchi, K.1
  • 9
    • 0342819025 scopus 로고
    • S Iijima, Nature 354, 56 (1991).
    • (1991) Nature , vol.354 , pp. 56
    • Iijima, S.1
  • 10
    • 0026141270 scopus 로고
    • A. F. Hebard et al., ibid. 350, 600 (1991).
    • (1991) Nature , vol.350 , pp. 600
    • Hebard, A.F.1
  • 12
    • 0028378378 scopus 로고
    • M. Saunders, H. A Jiménez-Vázquez, R. J Cross, R. J. Poreda, Science 259, 1428 (1993); R L Murry and G E. Scusena, ibid. 263, 791 (1994).
    • (1994) Science , vol.263 , pp. 791
    • Murry, R.L.1    Scusena, G.E.2
  • 13
    • 0027244713 scopus 로고
    • S. H. Friedman et al., J Am. Chem Soc. 115, 6506 (1993); J. C. Hummelen, M. Prato, F. Wudl, ibid 117, 7003 (1995)
    • (1993) J Am. Chem Soc. , vol.115 , pp. 6506
    • Friedman, S.H.1
  • 25
    • 0000567090 scopus 로고
    • S. F. Boys, Proc. R. Soc. London Ser. A 200, 542 (1950); S F Boys, G. B. Cook, C. M Reaves, I. Shavitt, Nature 178, 1207 (1956).
    • (1950) Proc. R. Soc. London Ser. A , vol.200 , pp. 542
    • Boys, S.F.1
  • 28
    • 0028021598 scopus 로고
    • L. Greengard, Science 265, 909 (1994); C. A. White, B G. Johnson, P. M W. Gill, M Head-Gordon, Chem. Phys. Lett. 230, 8 (1994)
    • (1994) Science , vol.265 , pp. 909
    • Greengard, L.1
  • 30
    • 0002934876 scopus 로고    scopus 로고
    • M C Strain, G. E. Scuseria, M. J. Frisch, Science 271, 51 (1996); J. C. Burant, M. C Strain, G. E. Scusena, M. J. Frisch, Chem. Phys Lett. 248, 43 (1996)
    • (1996) Science , vol.271 , pp. 51
    • Strain, M.C.1    Scuseria, G.E.2    Frisch, M.J.3
  • 33
    • 4243148070 scopus 로고    scopus 로고
    • R E. Stratmann and G. E. Scuseria, in preparation
    • R E. Stratmann and G. E. Scuseria, in preparation.
  • 37
    • 0027911207 scopus 로고
    • G. von Helden, N G. Gotts, M. T. Bowers, Nature 363, 60 (1993); J. Hunter, J. Fye, M F Jarrold, Science 260, 784 (1993).
    • (1993) Science , vol.260 , pp. 784
    • Hunter, J.1    Fye, J.2    Jarrold, M.F.3
  • 38
    • 44949271539 scopus 로고
    • V. Parasuk and J. Almlöf, Chem. Phys. Lett 184, 187 (1991), M. Feyereisen, M. Guotowski, J. Simons, J. Almlof, J Chem Phys. 96, 2926 (1992).
    • (1991) Chem. Phys. Lett , vol.184 , pp. 187
    • Parasuk, V.1    Almlöf, J.2
  • 45
    • 37049184659 scopus 로고
    • T. Guo et al., Science 257, 1661 (1992).
    • (1992) Science , vol.257 , pp. 1661
    • Guo, T.1
  • 49
    • 0008741710 scopus 로고    scopus 로고
    • D. F Tuan and R. M. Pitzer, J. Phys. Chem. 99, 9762 (1995); ibid., in press; K. Zhao and R. M. Pitzer, in preparation.
    • (1995) J. Phys. Chem. , vol.99 , pp. 9762
    • Tuan, D.F.1    Pitzer, R.M.2
  • 50
    • 0008741710 scopus 로고    scopus 로고
    • in press; K. Zhao and R. M. Pitzer, in preparation
    • D. F Tuan and R. M. Pitzer, J. Phys. Chem. 99, 9762 (1995); ibid., in press; K. Zhao and R. M. Pitzer, in preparation.
    • J. Phys. Chem.
  • 53
    • 0000526029 scopus 로고
    • R. L. Murry, D. L Strout, G. K, Odom, G. E. Scusena, Nature 366, 665 (1993); Int. J. Mass Spectrom. Ion Processes 138, 113 (1994).
    • (1994) Int. J. Mass Spectrom. Ion Processes , vol.138 , pp. 113
  • 55
    • 0000139238 scopus 로고
    • P. Sandler, C. Lifshrtz, C. E. Klots, ibid. 200, 445 (1992); M. Foltin, M. Lezius, P. Scheier, T. D. Märk, J. Chem. Phys. 98, 9624 (1993); R. L Whetten and C Yeretzian, Int. J. Mod. Phys. 6, 3801 (1992).
    • (1992) Chem. Phys. Lett. , vol.200 , pp. 445
    • Sandler, P.1    Lifshrtz, C.2    Klots, C.E.3
  • 56
    • 0001368007 scopus 로고
    • P. Sandler, C. Lifshrtz, C. E. Klots, ibid. 200, 445 (1992); M. Foltin, M. Lezius, P. Scheier, T. D. Märk, J. Chem. Phys. 98, 9624 (1993); R. L Whetten and C Yeretzian, Int. J. Mod. Phys. 6, 3801 (1992).
    • (1993) J. Chem. Phys. , vol.98 , pp. 9624
    • Foltin, M.1    Lezius, M.2    Scheier, P.3    Märk, T.D.4
  • 57
    • 0000139238 scopus 로고
    • P. Sandler, C. Lifshrtz, C. E. Klots, ibid. 200, 445 (1992); M. Foltin, M. Lezius, P. Scheier, T. D. Märk, J. Chem. Phys. 98, 9624 (1993); R. L Whetten and C Yeretzian, Int. J. Mod. Phys. 6, 3801 (1992).
    • (1992) Int. J. Mod. Phys. , vol.6 , pp. 3801
    • Whetten, R.L.1    Yeretzian, C.2
  • 59
    • 0001210966 scopus 로고
    • W. C. Eckhoff and G E. Scusena, Chem. Phys. Lett. 216, 399 (1993); J.-Y. Yi and J. Bernholc, J Chem. Phys. 96, 8634 (1992).
    • (1992) J Chem. Phys. , vol.96 , pp. 8634
    • Yi, J.-Y.1    Bernholc, J.2
  • 61
    • 0002838101 scopus 로고
    • W. E. Billups and M. A Ciufolini, Eds. VCH, New York
    • G. E. Scuseria, in Buckminsterfullerenes, W. E. Billups and M. A Ciufolini, Eds. (VCH, New York, 1992), pp. 103-124.
    • (1992) Buckminsterfullerenes , pp. 103-124
    • Scuseria, G.E.1
  • 62
    • 0042960057 scopus 로고
    • D. Bakowies and W Thiel. J. Am. Chem. Soc. 113, 3704 (1991); G. B. Adams, O. F. Sankey, J. B. Page, M. O'Keeffe, D. A. Drabold, Science 256, 1792 (1992).
    • (1991) J. Am. Chem. Soc. , vol.113 , pp. 3704
    • Bakowies, D.1    Thiel, W.2
  • 64
    • 0027125463 scopus 로고
    • D. Ugarte, Nature 359, 707 (1992); Carbon 33, 989 (1995).
    • (1992) Nature , vol.359 , pp. 707
    • Ugarte, D.1
  • 65
    • 0029214322 scopus 로고
    • D. Ugarte, Nature 359, 707 (1992); Carbon 33, 989 (1995).
    • (1995) Carbon , vol.33 , pp. 989
  • 71
    • 33646833936 scopus 로고
    • D Bakowies, M. Buehl, W.Thiel, J. Am Chem. Soc. 117, 10113 (1995); B I Dunlap et al., J. Phys. Chem. 95, 8737 (1991).
    • (1991) J. Phys. Chem. , vol.95 , pp. 8737
    • Dunlap, B.I.1
  • 74
    • 4243200044 scopus 로고
    • W.Andreoni, J Phys. Chem. Solids 54, 1789 (1993); G. E. Scuseria, in Modern Electronic Structure Theory, D. R Yarkony, Ed. (World Scientific, Singapore, 1995), pp. 279-310.
    • (1993) J Phys. Chem. Solids , vol.54 , pp. 1789
    • Andreoni, W.1
  • 75
    • 0010792556 scopus 로고
    • D. R Yarkony, Ed. World Scientific, Singapore
    • W.Andreoni, J Phys. Chem. Solids 54, 1789 (1993); G. E. Scuseria, in Modern Electronic Structure Theory, D. R Yarkony, Ed. (World Scientific, Singapore, 1995), pp. 279-310.
    • (1995) Modern Electronic Structure Theory , pp. 279-310
    • Scuseria, G.E.1
  • 76
    • 0001496258 scopus 로고
    • D. L. Strout et al , Chem. Phys. Lett. 214, 576 (1993); M I. Heggie, C. D Latham, R. Jones, P. R. Bnddon, Phys. Rev. B 50, 5937 (1994); A. Curioni, P. Giannozzi, J. Hutter, W Andreoni, J. Phys Chem. 99, 4008 (1995); M. P. Pederson and A. A. Quong, Phys. Rev Lett 74, 2319 (1995).
    • (1993) Chem. Phys. Lett. , vol.214 , pp. 576
    • Strout, D.L.1
  • 77
    • 0009936384 scopus 로고
    • D. L. Strout et al , Chem. Phys. Lett. 214, 576 (1993); M I. Heggie, C. D Latham, R. Jones, P. R. Bnddon, Phys. Rev. B 50, 5937 (1994); A. Curioni, P. Giannozzi, J. Hutter, W Andreoni, J. Phys Chem. 99, 4008 (1995); M. P. Pederson and A. A. Quong, Phys. Rev Lett 74, 2319 (1995).
    • (1994) Phys. Rev. B , vol.50 , pp. 5937
    • Heggie, M.I.1    Latham, C.D.2    Jones, R.3    Bnddon, P.R.4
  • 78
    • 0029271913 scopus 로고
    • D. L. Strout et al , Chem. Phys. Lett. 214, 576 (1993); M I. Heggie, C. D Latham, R. Jones, P. R. Bnddon, Phys. Rev. B 50, 5937 (1994); A. Curioni, P. Giannozzi, J. Hutter, W Andreoni, J. Phys Chem. 99, 4008 (1995); M. P. Pederson and A. A. Quong, Phys. Rev Lett 74, 2319 (1995).
    • (1995) J. Phys Chem. , vol.99 , pp. 4008
    • Curioni, A.1    Giannozzi, P.2    Hutter, J.3    Andreoni, W.4
  • 79
    • 3643129056 scopus 로고
    • D. L. Strout et al , Chem. Phys. Lett. 214, 576 (1993); M I. Heggie, C. D Latham, R. Jones, P. R. Bnddon, Phys. Rev. B 50, 5937 (1994); A. Curioni, P. Giannozzi, J. Hutter, W Andreoni, J. Phys Chem. 99, 4008 (1995); M. P. Pederson and A. A. Quong, Phys. Rev Lett 74, 2319 (1995).
    • (1995) Phys. Rev Lett , vol.74 , pp. 2319
    • Pederson, M.P.1    Quong, A.A.2
  • 80
    • 3743111293 scopus 로고
    • J.-C Charlier and J.-P. Michenaud, Phys Rev Lett. 70, 1858 (1993); J.-C. Charlier, X. Gonze, J.-P. Michenaud, Europhys Lett. 29, 43 (1995); J. W. Mintmire and C. T. White, Carbon 33, 893 (1995).
    • (1993) Phys Rev Lett. , vol.70 , pp. 1858
    • Charlier, J.-C.1    Michenaud, J.-P.2
  • 81
    • 84956244774 scopus 로고
    • J.-C Charlier and J.-P. Michenaud, Phys Rev Lett. 70, 1858 (1993); J.-C. Charlier, X. Gonze, J.-P. Michenaud, Europhys Lett. 29, 43 (1995); J. W. Mintmire and C. T. White, Carbon 33, 893 (1995).
    • (1995) Europhys Lett. , vol.29 , pp. 43
    • Charlier, J.-C.1    Gonze, X.2    Michenaud, J.-P.3
  • 82
    • 0029224192 scopus 로고
    • J.-C Charlier and J.-P. Michenaud, Phys Rev Lett. 70, 1858 (1993); J.-C. Charlier, X. Gonze, J.-P. Michenaud, Europhys Lett. 29, 43 (1995); J. W. Mintmire and C. T. White, Carbon 33, 893 (1995).
    • (1995) Carbon , vol.33 , pp. 893
    • Mintmire, J.W.1    White, C.T.2
  • 83
    • 4243068196 scopus 로고    scopus 로고
    • note
    • Supported by grants from the Air Force Office of Scientific Research (F49620-95-1-0203), NSF (CHE-9321297), the Petroleum Research Fund administered by the American Chemical Society (28219-AC4), and the Welch Foundation (C-1196).


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