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Volumn 46, Issue 16, 2007, Pages 2935-2938

Novel approaches to the experimental charge density of vitamin B 12

Author keywords

Charge density; Cobalamins; Computer chemistry; Vitamin B12; X ray diffraction

Indexed keywords

CHARGE DENSITY; MATHEMATICAL MODELS; QUANTUM CHEMISTRY; X RAY DIFFRACTION;

EID: 34250853997     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200603901     Document Type: Article
Times cited : (36)

References (37)
  • 7
    • 34250887871 scopus 로고    scopus 로고
    • 12, 1999, Wiley, New York.
    • 12, 1999, Wiley, New York.
  • 9
    • 0001167603 scopus 로고    scopus 로고
    • Eds, J. Reedijk, E. Bouwman, Marcel Dekker, New York
    • L. G. Marzilli in Bioinorganic Catalysis (Eds.: J. Reedijk, E. Bouwman), Marcel Dekker, New York, 1999, p. 423.
    • (1999) Bioinorganic Catalysis , pp. 423
    • Marzilli, L.G.1
  • 10
    • 34250792525 scopus 로고    scopus 로고
    • 12 (Ed.: D. Dolphin), Wiley, New York, 1982.
    • 12 (Ed.: D. Dolphin), Wiley, New York, 1982.
  • 22
    • 34250894145 scopus 로고    scopus 로고
    • Crystal and experimental data for the solvate of vitamin B12 (cyanocobalamin·12water·3propanol, C63H 88CoN14O14P·12H2O· 3C3H7OH, 100 K, crystal size: 0.4 x 0.26 x 0.2 mm 3, orthorhombic, space group P21212 1, a, 15.831(4, b, 22.374(5, c, 25.304(6) Å, V, 8963(4) Å3, Z, 4, ρcalcd, 1.30 g cm-3, μ(MoKα, 0.29 mm-1, λ(MoKα, 0.7107 Å, sinθ)/λmax, 1.22 Å-1
    • -1.
  • 24
    • 4544232064 scopus 로고    scopus 로고
    • Angew. Chem. Int. Ed. 2004, 43, 2718-2721.
    • (2004) Chem. Int. Ed , vol.43 , pp. 2718-2721
    • Angew1
  • 26
    • 34250889064 scopus 로고    scopus 로고
    • T. Koritsanszky, T. Richter, P. Macchi, A. Volkov, C. Gatti, S. Howard, P. R. Mallinson, L. Farrugia, Z. Su, N. K. Hansen, XD, A Computer Program Package for the Multipole Refinement and Topological Analysis of Electron Densities from Diffraction Data, 2003.
    • T. Koritsanszky, T. Richter, P. Macchi, A. Volkov, C. Gatti, S. Howard, P. R. Mallinson, L. Farrugia, Z. Su, N. K. Hansen, XD, A Computer Program Package for the Multipole Refinement and Topological Analysis of Electron Densities from Diffraction Data, 2003.
  • 27
    • 34250826854 scopus 로고    scopus 로고
    • G. M. Sheldrick, SHELXL-97, A Program for the Refinement of Crystal Structures, University of Göttingen (Germany), 1997.
    • G. M. Sheldrick, SHELXL-97, A Program for the Refinement of Crystal Structures, University of Göttingen (Germany), 1997.
  • 28
    • 34250854371 scopus 로고    scopus 로고
    • Supporting information on the invariom application is available upon request. It contains a comparison of the figures of merit for the spherical and invariom refinements, invariom names, and the model compounds used
    • Supporting information on the invariom application is available upon request. It contains a comparison of the figures of merit for the spherical and invariom refinements, invariom names, and the model compounds used.
  • 29
    • 34250794233 scopus 로고    scopus 로고
    • Gaussian 98 (Revision A.7, M.J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P. M. W. Gill, B. G. Johnson, W. Chen, M. W. Wong, J. L. Andres, M. Head-Gordon, E. S. Replogle, J. A. Pople, Gaussian, Inc, Pittsburgh USA, 1998
    • Gaussian 98 (Revision A.7), M.J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P. M. W. Gill, B. G. Johnson, W. Chen, M. W. Wong, J. L. Andres, M. Head-Gordon, E. S. Replogle, J. A. Pople, Gaussian, Inc., Pittsburgh (USA), 1998.
  • 33
    • 34250847404 scopus 로고    scopus 로고
    • ASTRO, 1995-1996, SMART, 1996, SAINT, 1994-1996, Bruker-AXS Inc., Madison (USA).
    • ASTRO, 1995-1996, SMART, 1996, SAINT, 1994-1996, Bruker-AXS Inc., Madison (USA).
  • 35
    • 34250813442 scopus 로고    scopus 로고
    • G. M. Sheldrick, SHELXS-97, A Program for Crystal Structure Solution, University of Göttingen (Germany), 1997.
    • G. M. Sheldrick, SHELXS-97, A Program for Crystal Structure Solution, University of Göttingen (Germany), 1997.
  • 36
    • 34250832469 scopus 로고    scopus 로고
    • E. Keller, SCHAKAL97, A Fortran Program for the Graphical Representation of Molecular and Crystallographic Models, University of Freiburg (Germany), 1997.
    • E. Keller, SCHAKAL97, A Fortran Program for the Graphical Representation of Molecular and Crystallographic Models, University of Freiburg (Germany), 1997.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.