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Volumn 63, Issue 3, 2009, Pages 140-145

A theoretical challenge: Transition-metal compounds

Author keywords

Density matrix renormalization group; Relativistic quantum chemistry; Spin spin coupling

Indexed keywords


EID: 64249083157     PISSN: 00094293     EISSN: None     Source Type: Journal    
DOI: 10.2533/chimia.2009.140     Document Type: Article
Times cited : (62)

References (130)
  • 1
    • 64249168538 scopus 로고    scopus 로고
    • T. Helgaker, P. J0rgensen, J. Olsen, 'Molecular Electronic-Structure Theory' John Wiley & Sons, Chichester, England, 2000.
    • T. Helgaker, P. J0rgensen, J. Olsen, 'Molecular Electronic-Structure Theory' John Wiley & Sons, Chichester, England, 2000.
  • 8
    • 21344458504 scopus 로고    scopus 로고
    • P. E. M. Siegbahn, 'Electronic Structure Calculations for Molecules Containing Transition Metals', in 'Advances in Chemical Physics', 43, Eds. 1. Prigogine, S. A. Rice, John Wiley & Sons, Inc., 1996, pp. 333-387;
    • c) P. E. M. Siegbahn, 'Electronic Structure Calculations for Molecules Containing Transition Metals', in 'Advances in Chemical Physics', Vol. 43, Eds. 1. Prigogine, S. A. Rice, John Wiley & Sons, Inc., 1996, pp. 333-387;
  • 9
    • 63149183001 scopus 로고    scopus 로고
    • Density-functional Theory as a Practical Tool in Studies of Transition Metal Chemistry and Catalysis
    • Ed. M. Springborg, John Wiley & Sons, Inc
    • d) T. Ziegler, 'Density-functional Theory as a Practical Tool in Studies of Transition Metal Chemistry and Catalysis', in 'Density-functional Methods in Chemistry and Materials Science". Ed. M. Springborg, John Wiley & Sons, Inc., 1997, pp. 69-103;
    • (1997) Density-functional Methods in Chemistry and Materials Science , pp. 69-103
    • Ziegler, T.1
  • 10
    • 0000644680 scopus 로고    scopus 로고
    • Chemistry by Density Functional Theory
    • Ed. D. P. Chong, World Scientific, Singapore, Chapter 6, pp
    • e) C. W. Bauschlicher, Jr., A. Ricca, H. Partridge, 'Chemistry by Density Functional Theory', in 'Recent Advances in Density Functional Methods', Vol. 2, Ed. D. P. Chong, World Scientific, Singapore, 1997, Chapter 6, pp. 165-227;
    • (1997) Recent Advances in Density Functional Methods , vol.2 , pp. 165-227
    • Bauschlicher Jr., C.W.1    Ricca, A.2    Partridge, H.3
  • 12
    • 0003360856 scopus 로고    scopus 로고
    • Transition Metal Chemistry
    • Ed. P. v. R. Schleyer, John Wiley & Sons, Chichester
    • g) G. Frenking, T. Wagener, 'Transition Metal Chemistry", in 'Encyclopedia of Computational Chemistry', Ed. P. v. R. Schleyer, John Wiley & Sons, Chichester, 1998, pp 3073-3084;
    • (1998) Encyclopedia of Computational Chemistry , pp. 3073-3084
    • Frenking, G.1    Wagener, T.2
  • 13
    • 0001308267 scopus 로고    scopus 로고
    • A Critical Assessment of Density Functional Theory with Regard to Applications in Organometallic Chemistry
    • Eds. J. M. Brown, P. Hofmann, Springer Verlag, Berlin, Heidelberg
    • h) A. Görlmg, S. B. Trickey, P. Gisdakis. N. Rösch, 'A Critical Assessment of Density Functional Theory with Regard to Applications in Organometallic Chemistry", in 'Topics in Organometallic Chemistry", Vol. 4, Eds. J. M. Brown, P. Hofmann, Springer Verlag, Berlin, Heidelberg, 1999, pp. 109-163;
    • (1999) Topics in Organometallic Chemistry , vol.4 , pp. 109-163
    • Görlmg, A.1    Trickey, S.B.2    Gisdakis, P.3    Rösch, N.4
  • 20
    • 0002177715 scopus 로고    scopus 로고
    • The Accuracy of Quantum Chemical Mediods for the Calculation of Transition Metal Compounds
    • Ed. T. R. Cundari, Marcel Dekker, New York
    • o) M. Diedenhofen, T. M. Wagener, G. Frenking, 'The Accuracy of Quantum Chemical Mediods for the Calculation of Transition Metal Compounds' in 'Computational Organometallic Chemistry', Ed. T. R. Cundari, Marcel Dekker, New York, 2001;
    • (2001) Computational Organometallic Chemistry
    • Diedenhofen, M.1    Wagener, T.M.2    Frenking, G.3
  • 25
    • 0003211616 scopus 로고
    • Density-Functional Theory of Atoms and Molecules
    • Eds. R. Breslow, J. B. Goodenough, J. Halpern, J. S. Rowlinson, Oxford Science Publications, New York
    • R. G. Parr, W. Yang, 'Density-Functional Theory of Atoms and Molecules', in 'International Series of Monographs on Chemistry", Vol. 16, Eds. R. Breslow, J. B. Goodenough, J. Halpern, J. S. Rowlinson, Oxford Science Publications, New York, 1989.
    • (1989) International Series of Monographs on Chemistry , vol.16
    • Parr, R.G.1    Yang, W.2
  • 36
    • 84874523170 scopus 로고    scopus 로고
    • M. Dolg, 'Relativistic Effective Core Potentials', in 'Relativistic Quantum Chemistry - I. Theory', Ed. P. Schwerdtfeger, Elsevier, 2002, pp. 793-862.
    • M. Dolg, 'Relativistic Effective Core Potentials', in 'Relativistic Quantum Chemistry - Vol I. Theory', Ed. P. Schwerdtfeger, Elsevier, 2002, pp. 793-862.
  • 53
    • 34250908648 scopus 로고    scopus 로고
    • W. Heisenberg, Z. Phys. 1926, 38, 411;
    • c) W. Heisenberg, Z. Phys. 1926, 38, 411;
  • 76
    • 33644804094 scopus 로고    scopus 로고
    • C. .1. Cramer, M. Wloch, P. Pecuch, C. Puzzarini, L. Gagliardi, J. Phys. Chem. A 2006, 110, 1991.
    • k) C. .1. Cramer, M. Wloch, P. Pecuch, C. Puzzarini, L. Gagliardi, J. Phys. Chem. A 2006, 110, 1991.
  • 122
    • 64249139375 scopus 로고    scopus 로고
    • M. Reiher, K.' Meier, J. Neugebauer, 2009, in preparation.
    • c) M. Reiher, K.' Meier, J. Neugebauer, 2009, in preparation.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.