메뉴 건너뛰기




Volumn 111, Issue 16, 2007, Pages 3110-3123

Spatial ring current model of the [2.2]paracyclophane molecule

Author keywords

[No Author keywords available]

Indexed keywords

CURRENT DENSITY; GRAPH THEORY; MAGNETIC FIELD EFFECTS; MAGNETIC SHIELDING; MOLECULAR STRUCTURE;

EID: 34248364421     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp067540o     Document Type: Article
Times cited : (32)

References (37)
  • 1
    • 34248393760 scopus 로고    scopus 로고
    • Diederich, F. N. Cyclophanes; Stoddart, J. F., Ed.; Royal Society of Chemistry Monographs in Supramolecular Chemistry; Royal Society of Chemistry: Cambridge, U.K., 1991.
    • Diederich, F. N. Cyclophanes; Stoddart, J. F., Ed.; Royal Society of Chemistry Monographs in Supramolecular Chemistry; Royal Society of Chemistry: Cambridge, U.K., 1991.
  • 11
    • 0141876111 scopus 로고    scopus 로고
    • Ring Currents
    • Emsley, J. W, Feeney, J, Sutcliffe, L. H, Eds, Elsevier: New York
    • Lazzeretti, P. Ring Currents. In Prog. Nucl. Magn. Reson. Spectrosc.; Emsley, J. W., Feeney, J., Sutcliffe, L. H., Eds.; Elsevier: New York, 2000; Vol. 36, pp 1-88.
    • (2000) Prog. Nucl. Magn. Reson. Spectrosc , vol.36 , pp. 1-88
    • Lazzeretti, P.1
  • 27
    • 27944482099 scopus 로고    scopus 로고
    • accepted for publication; DOI: 10.1007/s00214-006-0211-4
    • Pelloni, S.; Lazzeretti, P. Theor. Chem. Acc. accepted for publication; DOI: 10.1007/s00214-006-0211-4.
    • Theor. Chem. Acc
    • Pelloni, S.1    Lazzeretti, P.2
  • 28
    • 34248397473 scopus 로고    scopus 로고
    • The LINUX and WINDOWS versions of the graphic code used to obtain three-dimensional representations of the stagnation graph and current density vector field of a series of molecules can be downloaded at
    • The LINUX and WINDOWS versions of the graphic code used to obtain three-dimensional representations of the stagnation graph and current density vector field of a series of molecules can be downloaded at https://theochem. chimfar.unimo.it/VEDO3/.
  • 29
    • 34248324233 scopus 로고    scopus 로고
    • Frisch, M. J, Trucks, G. W, Schlegel, H. B, Scuseria, G. E, Robb, M. A, Cheeseman, J. R, Zakrzewski, V. G, Montgomery, J. A, Jr, Stratmann, R. E, Burant, J. C, Dapprich, S, Millam, J. M, Daniels, A. D, Kudin, K. N, Strain, M. C, Farkas, O, Tomasi, J, Barone, V, Cossi, M, Cammi, R, Mennucci, B, Pomelli, C, Adamo, C, Clifford, S, Ochterski, J, Petersson, G. A, Ayala, P. Y, Cui, Q, Morokuma, K, Malick, D. K, Rabuck, A. D, Raghavachari, K, Foresman, J. B, Cioslowski, J, Ortiz, J. V, Stefanov, B. B, Liu, G, Liashenko, A, Piskorz, P, Komaromi, I, Gomperts, R, Martin, R. L, Fox, D. J, Keith, T, Al-Laham, M. A, Peng, C. Y, Nanayakkara, A, Gonzalez, C, Challacombe, M, Gill, P. M. W, Johnson, B. G, Chen, W, Wong, M. W, Andres, J. L, Head-Gordon, M, Replogle, E. S, Pople, J. A. Gaussian 98, revision A.7; Gaussian, Inc, Pittsburgh, PA, 1998
    • Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, revision A.7; Gaussian, Inc.: Pittsburgh, PA, 1998.
  • 30
    • 0003513834 scopus 로고
    • Sistemi informatici e calcolo parallelo
    • Technical Report on Project, 1/67; CNR: Rome
    • Lazzeretti, P.; Malagoli, M.; Zanasi, R. Technical Report on Project "Sistemi informatici e calcolo parallelo", Research Report 1/67; CNR: Rome, 1991.
    • (1991) Research Report
    • Lazzeretti, P.1    Malagoli, M.2    Zanasi, R.3
  • 32
    • 0003281027 scopus 로고
    • Gaussian Basis Sets for the Atoms H-Ne for Use in Molecular Calculations
    • IBM: San Jose, CA
    • van Duijneveldt, F. B. Gaussian Basis Sets for the Atoms H-Ne for Use in Molecular Calculations; Research Report RJ 945; IBM: San Jose, CA, 1971.
    • (1971) Research Report RJ , vol.945
    • van Duijneveldt, F.B.1
  • 33
    • 36549098389 scopus 로고    scopus 로고
    • Hansen, A. E.; Bouman, T. D. J. Chem. Phys. 1985, 82, 5035. This is the first reference in which the reinterpretation of the GIAO acronym for gauge-including atomic orbitals has been proposed, see footnote 6, p 5047.
    • Hansen, A. E.; Bouman, T. D. J. Chem. Phys. 1985, 82, 5035. This is the first reference in which the reinterpretation of the GIAO acronym for gauge-including atomic orbitals has been proposed, see footnote 6, p 5047.
  • 34
    • 34248352447 scopus 로고    scopus 로고
    • Angeli, C, Bak, K. L, Bakken, V, Christiansen, O, Cimiraglia, R, Coriani, S, Dahle, P, Dalskov, E. K, Enevoldsen, T, Fernández, B, Hättig, C, Hald, K, Halkier, A, Heiberg, H, Helgaker, T, Hettema, H, Jensen, H. J. A, Jonsson, D, Jørgensen, P, Kirpekar, S, Klopper, W, Kobayashi, R, Koch, H, Ligabue, A, Lutnaes, O. B, Mikkelsen, K. V, Norman, P, Olsen, J, Packer, M. J, Pedersen, T. B, Rinkevicius, Z, Rudberg, E, Ruden, T. A, Ruud, K, Salek, P, Sánchez de Merás, A, Saue, T, Sauer, S. P. A, Schimmelpfennig, B, Sylvester-Hvid, K. O. Taylor, P. R, Vahtras, O, Wilson, D. J, Ågren, H. Dalton, An Electronic Structure Program, release 2.0; Dalton, 2005
    • Angeli, C.; Bak, K. L.; Bakken, V.; Christiansen, O.; Cimiraglia, R.; Coriani, S.; Dahle, P.; Dalskov, E. K.; Enevoldsen, T.; Fernández, B.; Hättig, C.; Hald, K.; Halkier, A.; Heiberg, H.; Helgaker, T.; Hettema, H.; Jensen, H. J. A.; Jonsson, D.; Jørgensen, P.; Kirpekar, S.; Klopper, W.; Kobayashi, R.; Koch, H.; Ligabue, A.; Lutnaes, O. B.; Mikkelsen, K. V.; Norman, P.; Olsen, J.; Packer, M. J.; Pedersen, T. B.; Rinkevicius, Z.; Rudberg, E.; Ruden, T. A.; Ruud, K.; Salek, P.; Sánchez de Merás, A.; Saue, T.; Sauer, S. P. A.; Schimmelpfennig, B.; Sylvester-Hvid, K. O. Taylor, P. R.; Vahtras, O.; Wilson, D. J.; Ågren, H. Dalton, An Electronic Structure Program, release 2.0; Dalton, 2005, (http://www.kjemi.uio.no/software/ dalton/).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.