메뉴 건너뛰기




Volumn 121, Issue 3, 2004, Pages 1317-1324

Theoretical analysis of singlet and triplet excited states of nickel porphyrins

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STATES; GENERALIZED GRADIENT APPROXIMATION (GDA); LOCAL DENSITY APPROXIMATION (LDA); RADIATIONLESS DEACTIVATION;

EID: 3442881620     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1762875     Document Type: Article
Times cited : (37)

References (42)
  • 1
    • 3442883797 scopus 로고
    • American Chemical Society, Washington, D.C.
    • Porphyrins, edited by M. Gouterman, P. M. Rentzepis, and K. D. Straub (American Chemical Society, Washington, D.C., 1986); Iron Porphyrins, edited by A. B. P. Lever and H. B. Gray (Addison-Wesley, Reading, MA, 1983); The Porphyrin Handbook, edited by K. M. Kadish, K. M. Smith, and R. Guilard (Academic, New York, 1999).
    • (1986) Porphyrins
    • Gouterman, M.1    Rentzepis, P.M.2    Straub, K.D.3
  • 2
    • 0003969504 scopus 로고
    • Addison-Wesley, Reading, MA
    • Porphyrins, edited by M. Gouterman, P. M. Rentzepis, and K. D. Straub (American Chemical Society, Washington, D.C., 1986); Iron Porphyrins, edited by A. B. P. Lever and H. B. Gray (Addison-Wesley, Reading, MA, 1983); The Porphyrin Handbook, edited by K. M. Kadish, K. M. Smith, and R. Guilard (Academic, New York, 1999).
    • (1983) Iron Porphyrins
    • Lever, A.B.P.1    Gray, H.B.2
  • 3
    • 0003641908 scopus 로고    scopus 로고
    • Academic, New York
    • Porphyrins, edited by M. Gouterman, P. M. Rentzepis, and K. D. Straub (American Chemical Society, Washington, D.C., 1986); Iron Porphyrins, edited by A. B. P. Lever and H. B. Gray (Addison-Wesley, Reading, MA, 1983); The Porphyrin Handbook, edited by K. M. Kadish, K. M. Smith, and R. Guilard (Academic, New York, 1999).
    • (1999) The Porphyrin Handbook
    • Kadish, K.M.1    Smith, K.M.2    Guilard, R.3
  • 6
    • 0002312013 scopus 로고
    • edited by D. Dolphin (Academic, New York)
    • M. Gouterman, in The Porphyrins, edited by D. Dolphin (Academic, New York, 1978), pp. 1-166.
    • (1978) The Porphyrins , pp. 1-166
    • Gouterman, M.1
  • 20
    • 0344639792 scopus 로고    scopus 로고
    • SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands
    • E. J. Baerends, J. A. Autschbach, A. Berces et al., ADF2002.03, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands 〈http://www.scm.com〉
    • ADF2002.03
    • Baerends, E.J.1    Autschbach, J.A.2    Berces, A.3
  • 26
    • 0038621844 scopus 로고    scopus 로고
    • L. K. Stoll, M. Z. Zgierski, and P. M. Kozlowski, J. Phys. Chem. A 106, 170 (2002); 107, 4165 (2003).
    • (2003) J. Phys. Chem. A , vol.107 , pp. 4165
  • 27
    • 10644250257 scopus 로고
    • P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964); W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965); J. C. Slater, in Quantum Theory of Molecules and Solids, Vol. 4, The Self-Consistent Field for Molecules and Solids (McGraw-Hill, New York, 1974).
    • (1964) Phys. Rev. , vol.136
    • Hohenberg, P.1    Kohn, W.2
  • 28
    • 0042113153 scopus 로고
    • P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964); W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965); J. C. Slater, in Quantum Theory of Molecules and Solids, Vol. 4, The Self-Consistent Field for Molecules and Solids (McGraw-Hill, New York, 1974).
    • (1965) Phys. Rev. , vol.140
    • Kohn, W.1    Sham, L.J.2
  • 29
    • 10644250257 scopus 로고
    • Quantum Theory of Molecules and Solids (McGraw-Hill, New York)
    • P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964); W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965); J. C. Slater, in Quantum Theory of Molecules and Solids, Vol. 4, The Self-Consistent Field for Molecules and Solids (McGraw-Hill, New York, 1974).
    • (1974) The Self-consistent Field for Molecules and Solids , vol.4
    • Slater, J.C.1
  • 33
    • 0033131603 scopus 로고    scopus 로고
    • S. J. A. van Gisbergen, J. G. Snijders, and E. J. Baerends, Comput. Phys. Commun. 118, 119 (1999); S. J. A. van Gisbergen, Ph.D. thesis, Amsterdam (1998), available online from 〈http://www.scm.com〉; S. J. A. van Gisbergen, F. Kootstra, P. R. T. Schipper, O. V. Gritsenko, J. G. Snijders, and E. J. Baerends, Phys. Rev. A 57, 2556 (1998).
    • (1999) Comput. Phys. Commun. , vol.118 , pp. 119
    • Van Gisbergen, S.J.A.1    Snijders, J.G.2    Baerends, E.J.3
  • 34
    • 0033131603 scopus 로고    scopus 로고
    • Ph.D. thesis, Amsterdam
    • S. J. A. van Gisbergen, J. G. Snijders, and E. J. Baerends, Comput. Phys. Commun. 118, 119 (1999); S. J. A. van Gisbergen, Ph.D. thesis, Amsterdam (1998), available online from 〈http://www.scm.com〉; S. J. A. van Gisbergen, F. Kootstra, P. R. T. Schipper, O. V. Gritsenko, J. G. Snijders, and E. J. Baerends, Phys. Rev. A 57, 2556 (1998).
    • (1998)
    • Van Gisbergen, S.J.A.1
  • 37
    • 85029400214 scopus 로고    scopus 로고
    • J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996); Y. Zhang and W. Yang, ibid. 80, 890 (1998).
    • (1998) Phys. Rev. Lett. , vol.80 , pp. 890
    • Zhang, Y.1    Yang, W.2
  • 39


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.