메뉴 건너뛰기




Volumn 135, Issue 4, 2011, Pages

Derivatives and dimers of C50-D5h and C 50-D3: A comparison of two closely related but quite differently behaving fullerenes

Author keywords

[No Author keywords available]

Indexed keywords

A-DENSITY; HALOGEN ATOMS; REACTIVE SITE;

EID: 79961033728     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3615502     Document Type: Article
Times cited : (9)

References (34)
  • 7
    • 15744398696 scopus 로고    scopus 로고
    • 50 fullerenes
    • DOI 10.1021/jp0452610
    • X. Zhao, J. Phys. Chem. B 109, 5267 (2005). 10.1021/jp0452610 (Pubitemid 40407748)
    • (2005) Journal of Physical Chemistry B , vol.109 , Issue.11 , pp. 5267-5272
    • Zhao, X.1
  • 9
    • 21644437730 scopus 로고    scopus 로고
    • Numbering of fullerenes (IUPAC recommendations 2005)
    • DOI 10.1351/pac200577050843
    • F. Cozzi, W. H. Powell, and C. Thilgen, Pure Appl. Chem. 77, 843 (2005). 10.1351/pac200577050843 (Pubitemid 40937731)
    • (2005) Pure and Applied Chemistry , vol.77 , Issue.5 , pp. 843-923
    • Cozzi, F.1    Powell, W.H.2    Thilgen, C.3
  • 10
    • 17844394691 scopus 로고    scopus 로고
    • 50: Sphericity takes over, not strain
    • DOI 10.1016/j.cplett.2005.03.065, PII S0009261405003714
    • S. Daz-Tendero, M. Alcam, and F. Martn, Chem. Phys. Lett. 407, 153 (2005). 10.1016/j.cplett.2005.03.065 (Pubitemid 40584103)
    • (2005) Chemical Physics Letters , vol.407 , Issue.1-3 , pp. 153-158
    • Diaz-Tendero, S.1    Alcami, M.2    Martin, F.3
  • 11
    • 0000875141 scopus 로고
    • 10.1016/0009-2614(86)80661-3
    • A. J. Stone and D. J. Wales, Chem. Phys. Lett. 128, 501 (1986). 10.1016/0009-2614(86)80661-3
    • (1986) Chem. Phys. Lett. , vol.128 , pp. 501
    • Stone, A.J.1    Wales, D.J.2
  • 17
    • 79961049761 scopus 로고    scopus 로고
    • TURBOMOLE, Version 5.8-5.10, Program Package for ab initio Electronic Structure Calculations, Universität Karlsruhe, TURBOMOLE GmbH
    • TURBOMOLE, Version 5.8-5.10, Program Package for ab initio Electronic Structure Calculations, Universität Karlsruhe, TURBOMOLE GmbH; http://www.turbomole.com.
  • 18
    • 26244461462 scopus 로고    scopus 로고
    • Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
    • DOI 10.1039/b508541a
    • F. Weigend and R. Ahlrichs, Phys. Chem. Chem. Phys. 7, 3297 (2005). 10.1039/b508541a (Pubitemid 41412231)
    • (2005) Physical Chemistry Chemical Physics , vol.7 , Issue.18 , pp. 3297-3305
    • Weigend, F.1    Ahlrichs, R.2
  • 21
    • 4243553426 scopus 로고
    • 10.1103/PhysRevA.38.3098
    • A. D. Becke, Phys. Rev. A 38, 3098 (1988). 10.1103/PhysRevA.38.3098
    • (1988) Phys. Rev. A , vol.38 , pp. 3098
    • Becke, A.D.1
  • 22
    • 5944261746 scopus 로고
    • 10.1103/PhysRevB.33.8822
    • J. P. Perdew, Phys. Rev. B 33, 8822 (1986). 10.1103/PhysRevB.33.8822
    • (1986) Phys. Rev. B , vol.33 , pp. 8822
    • Perdew, J.P.1
  • 23
    • 33645898818 scopus 로고
    • 10.1103/PhysRevB.45.13244
    • J. P. Perdew and Y. Wang, Phys. Rev. B 45, 13244 (1992). 10.1103/PhysRevB.45.13244
    • (1992) Phys. Rev. B , vol.45 , pp. 13244
    • Perdew, J.P.1    Wang, Y.2
  • 26
    • 11144298784 scopus 로고    scopus 로고
    • Erratum: Comparative assessment of a new nonempirical density functional: Molecules and hydrogen-bonded complexes(Journal of Chemical Physics (2003) 119 (12129))
    • DOI 10.1063/1.1795692, 1
    • V. N. Staroverov, G. E. Scuseria, J. Tao, and J. P. Perdew, J. Chem. Phys. 121, 11507 (2004). 10.1063/1.1795692 (Pubitemid 40020691)
    • (2004) Journal of Chemical Physics , vol.121 , Issue.22 , pp. 11507
    • Staroverov, V.N.1    Scuseria, G.E.2    Tao, J.3    Perdew, J.P.4
  • 27
    • 33750559983 scopus 로고    scopus 로고
    • Semiempirical GGA-type density functional constructed with a long-range dispersion correction
    • DOI 10.1002/jcc.20495
    • S. Grimme, J. Comput. Chem. 27, 1787 (2006). 10.1002/jcc.20495 (Pubitemid 44672561)
    • (2006) Journal of Computational Chemistry , vol.27 , Issue.15 , pp. 1787-1799
    • Grimme, S.1
  • 33
    • 0030564742 scopus 로고    scopus 로고
    • 10.1016/0009-2614(96)00599-4
    • G. E. Scuseria, Chem. Phys. Lett. 257, 583 (1996). 10.1016/0009-2614(96) 00599-4
    • (1996) Chem. Phys. Lett. , vol.257 , pp. 583
    • Scuseria, G.E.1
  • 34
    • 29144456089 scopus 로고    scopus 로고
    • DFT study of fullerene dimers
    • DOI 10.1002/cphc.200500285
    • A. Bihlmeier, C. C.M. Samson, and W. Klopper, ChemPhysChem 6, 2625 (2005). 10.1002/cphc.200500285 (Pubitemid 41812515)
    • (2005) ChemPhysChem , vol.6 , Issue.12 , pp. 2625-2632
    • Bihlmeier, A.1    Samson, C.C.M.2    Klopper, W.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.