메뉴 건너뛰기




Volumn , Issue , 2007, Pages 375-397

Applications of the Quantum Theory of Atoms in Molecules in Organic Chemistry - Charge Distribution, Conformational Analysis and Molecular Interactions

Author keywords

Aromatic molecules; Atoms in molecules; Charge distribution; Chemical bonding; Chemical reactivity; Conformational analysis; Conformational equilibria; Electron delocalization; Molecular interactions; Quantum Theorie

Indexed keywords


EID: 84889975280     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1002/9783527610709.ch14     Document Type: Chapter
Times cited : (5)

References (73)
  • 1
    • 0003495717 scopus 로고
    • Atoms in Molecules
    • A Quantum Theory, Clarendon Press, Oxford
    • R. F. W. Bader, Atoms in Molecules. A Quantum Theory, Clarendon Press, Oxford, 1995.
    • (1995)
    • Bader, R.F.W.1
  • 2
    • 0003895523 scopus 로고
    • Methods of Molecular Quantum Mechanics
    • Academic, London
    • R. McWeeny, Methods of Molecular Quantum Mechanics, Academic, London, 1992.
    • (1992)
    • McWeeny, R.1
  • 3
    • 0003560924 scopus 로고
    • Energy Density Functional Theory of Many-Electron Systems
    • Kluwer Academic Publishers, Dordrecht
    • E. S. Kryachko, E. V. Ludenã, Energy Density Functional Theory of Many-Electron Systems, Kluwer Academic Publishers, Dordrecht, 1990.
    • (1990)
    • Kryachko, E.S.1    Ludenã, E.V.2
  • 5
    • 0037325704 scopus 로고    scopus 로고
    • J. Comput. Chem.
    • Y.-G. Wang, N. H. Werstiuk, J. Comput. Chem. 2003, 24, 379-385.
    • (2003) , vol.24 , pp. 379-385
    • Wang, Y.-G.1    Werstiuk, N.H.2
  • 8
    • 0033834357 scopus 로고    scopus 로고
    • Coord. Chem. Rev.
    • R. F. W. Bader, Coord. Chem. Rev. 2000, 197, 71-94.
    • (2000) , vol.197 , pp. 71-94
    • Bader, R.F.W.1
  • 9
    • 77954214663 scopus 로고
    • The Calculation of NMR and ESR Spectroscopy Parameters using Density Functional Theory
    • Eds: J. M. Seminario, P. Politzer. Theoretical and Computational Chemistry, Elsevier Science B. V
    • V. G. Malkin, O. L. Malkina, L. A. Eriksson, D. R. Salahub, "The Calculation of NMR and ESR Spectroscopy Parameters using Density Functional Theory", In: "Modern Density Functional Theory: A Tool for Chemistry". Eds: J. M. Seminario, P. Politzer. Theoretical and Computational Chemistry, vol. 2, Elsevier Science B. V., 1995.
    • (1995) Modern Density Functional Theory: A Tool for Chemistry , vol.2
    • Malkin, V.G.1    Malkina, O.L.2    Eriksson, L.A.3    Salahub, D.R.4
  • 10
    • 0003490248 scopus 로고
    • High Resolution Nuclear Magnetic Resonance
    • McGraw-Hill, New York
    • J. A. Pople, W. G. Schneider, H. J. Bernstein, High Resolution Nuclear Magnetic Resonance, McGraw-Hill, New York, 1959.
    • (1959)
    • Pople, J.A.1    Schneider, W.G.2    Bernstein, H.J.3
  • 12
    • 33745356391 scopus 로고
    • J. Chem. Phys.
    • M. Karplus, J. Chem. Phys. 1959, 30, 11-15.
    • (1959) , vol.30 , pp. 11-15
    • Karplus, M.1
  • 13
    • 18344393643 scopus 로고    scopus 로고
    • J. Chem. Inf. Model.
    • N. Castillo, C. F. Matta, R. J. Boyd, J. Chem. Inf. Model. 2005, 45, 354-359.
    • (2005) , vol.45 , pp. 354-359
    • Castillo, N.1    Matta, C.F.2    Boyd, R.J.3
  • 14
    • 33947347962 scopus 로고
    • J. Am. Chem. Soc.
    • J. D. Kemp, K. S. Pitzer, J. Am. Chem. Soc. 1937, 59, 276-279.
    • (1937) , vol.59 , pp. 276-279
    • Kemp, J.D.1    Pitzer, K.S.2
  • 15
    • 0000711866 scopus 로고
    • Acc. Chem. Res.
    • R. M. Pitzer, Acc. Chem. Res. 1983, 16, 207-210.
    • (1983) , vol.16 , pp. 207-210
    • Pitzer, R.M.1
  • 16
    • 0000918305 scopus 로고
    • J. Chem. Phys.
    • L. G. Smith, J. Chem. Phys. 1949, 17, 139-167.
    • (1949) , vol.17 , pp. 139-167
    • Smith, L.G.1
  • 17
    • 0001668505 scopus 로고
    • J. Chem. Phys.
    • S. Weiss, G. E. Leroi, J. Chem. Phys. 1968, 48, 962-967.
    • (1968) , vol.48 , pp. 962-967
    • Weiss, S.1    Leroi, G.E.2
  • 18
    • 0001767684 scopus 로고
    • J. Chem. Phys.
    • E. Hirota, S. Saito, Y. Endo, J. Chem. Phys. 1979, 71, 1183-1187.
    • (1979) , vol.71 , pp. 1183-1187
    • Hirota, E.1    Saito, S.2    Endo, Y.3
  • 21
    • 0002960487 scopus 로고    scopus 로고
    • J. Chem. Phys.
    • L. Goodman, H. B. Gu, J. Chem. Phys. 1998, 109, 72-78.
    • (1998) , vol.109 , pp. 72-78
    • Goodman, L.1    Gu, H.B.2
  • 22
  • 23
    • 0141522603 scopus 로고    scopus 로고
    • Angew. Chem. Int. Ed.
    • F. Weinhold, Angew. Chem. Int. Ed. 2003, 42, 4188-4194.
    • (2003) , vol.42 , pp. 4188-4194
    • Weinhold, F.1
  • 24
    • 0141745664 scopus 로고    scopus 로고
    • Angew. Chem. Int. Ed.
    • F. M. Bickelhaupt, E. J. Baerends, Angew. Chem. Int. Ed. 2003, 42, 4183-4188.
    • (2003) , vol.42 , pp. 4183-4188
    • Bickelhaupt, F.M.1    Baerends, E.J.2
  • 27
    • 33645278073 scopus 로고    scopus 로고
    • Chem. Eur. J.
    • R. F. W. Bader, Chem. Eur. J. 2006, 12, 2896-2905.
    • (2006) , vol.12 , pp. 2896-2905
    • Bader, R.F.W.1
  • 28
    • 84985611078 scopus 로고
    • Angew. Chem. Int. Ed.
    • D. Cremer, E. Kraka, Angew. Chem. Int. Ed. 1984, 23, 627-628.
    • (1984) , vol.23 , pp. 627-628
    • Cremer, D.1    Kraka, E.2
  • 29
    • 1542752101 scopus 로고
    • J. Phys. Chem.
    • K. B. Wiberg, M. A. Murcko, J. Phys. Chem. 1987, 91, 3616-3620.
    • (1987) , vol.91 , pp. 3616-3620
    • Wiberg, K.B.1    Murcko, M.A.2
  • 32
    • 0000653568 scopus 로고
    • Spectrochim. Acta
    • P. Felder, H. H. Gunthard, Spectrochim. Acta 1980, 36A, 223-224.
    • (1980) , vol.36 A , pp. 223-224
    • Felder, P.1    Gunthard, H.H.2
  • 33
    • 0003942864 scopus 로고
    • Stereochemistry of Organic Compounds
    • Wiley
    • E. L. Eliel, S. H. Wilen, Stereochemistry of Organic Compounds, Wiley: 1994, 597-664.
    • (1994) , pp. 597-664
    • Eliel, E.L.1    Wilen, S.H.2
  • 34
    • 33845279253 scopus 로고
    • J. Phys. Chem.
    • D. A. Dixon, B. E. Smart, J. Phys. Chem. 1988, 92, 2729-2733.
    • (1988) , vol.92 , pp. 2729-2733
    • Dixon, D.A.1    Smart, B.E.2
  • 37
    • 0000264260 scopus 로고    scopus 로고
    • Acc. Chem. Res.
    • K. B. Wiberg, Acc. Chem. Res. 1996, 29, 229-234.
    • (1996) , vol.29 , pp. 229-234
    • Wiberg, K.B.1
  • 38
    • 0004293179 scopus 로고    scopus 로고
    • Stereoelectronic Effects
    • Oxford Science Publications
    • A. J. Kirby, Stereoelectronic Effects, Oxford Science Publications, 1996.
    • (1996)
    • Kirby, A.J.1
  • 39
    • 0005355447 scopus 로고    scopus 로고
    • J. Phys. Chem. A
    • R. F. W. Bader, J. Phys. Chem. A 1998, 102, 7314-7323.
    • (1998) , vol.102 , pp. 7314-7323
    • Bader, R.F.W.1
  • 40
    • 0033980703 scopus 로고    scopus 로고
    • J. Am. Chem. Soc.
    • G. Cuevas, J. Am. Chem. Soc. 2000, 122, 692-698.
    • (2000) , vol.122 , pp. 692-698
    • Cuevas, G.1
  • 42
    • 0026597651 scopus 로고
    • Tetrahedron Lett.
    • E. Juaristi, G. Cuevas, Tetrahedron Lett. 1992, 33, 2271-2274.
    • (1992) , vol.33 , pp. 2271-2274
    • Juaristi, E.1    Cuevas, G.2
  • 43
    • 0000307044 scopus 로고
    • J. Am. Chem. Soc.
    • E. Juaristi, G. Cuevas, J. Am. Chem. Soc. 1993, 115, 1313-1316.
    • (1993) , vol.115 , pp. 1313-1316
    • Juaristi, E.1    Cuevas, G.2
  • 47
    • 0004200453 scopus 로고
    • The Anomeric Effect
    • CRC Press. Boca Ratón Fl
    • E. Juaristi, G. Cuevas, The Anomeric Effect, CRC Press. Boca Ratón Fl. 1994.
    • (1994)
    • Juaristi, E.1    Cuevas, G.2
  • 50
    • 39349098555 scopus 로고
    • J. Mol. Struct. (Theochem)
    • C. Yang, E. Goldstein, S. Breffle, S. Jin, J. Mol. Struct. (Theochem), 1992, 259, 345-368.
    • (1992) , vol.259 , pp. 345-368
    • Yang, C.1    Goldstein, E.2    Breffle, S.3    Jin, S.4
  • 51
    • 33845278713 scopus 로고
    • Inorg. Chem.
    • A. E. Reed, P. v. R. Schleyer, Inorg. Chem. 1988, 27, 3969-3987.
    • (1988) , vol.27 , pp. 3969-3987
    • Reed, A.E.1    Schleyer, P.V.R.2
  • 52
    • 84918191166 scopus 로고
    • Pure Appl. Chem.
    • M. Mikolajczy, Pure Appl. Chem. 1987, 59, 983.
    • (1987) , vol.59 , pp. 983
    • Mikolajczy, M.1
  • 58
    • 17644403976 scopus 로고
    • J. Phys. Chem.
    • R. F. W. Bader, C. Chang, J. Phys. Chem. 1989, 93, 5095-5107.
    • (1989) , vol.93 , pp. 5095-5107
    • Bader, R.F.W.1    Chang, C.2
  • 59
    • 0000540373 scopus 로고    scopus 로고
    • J. Org. Chem.
    • K. B. Wiberg, J. Org. Chem. 1997, 62, 5720-5727.
    • (1997) , vol.62 , pp. 5720-5727
    • Wiberg, K.B.1
  • 60
    • 0031224490 scopus 로고    scopus 로고
    • Can. J. Chem.
    • S. T. Howard, T. M. Krygowski, Can. J. Chem. 1997, 75, 1174-1181.
    • (1997) , vol.75 , pp. 1174-1181
    • Howard, S.T.1    Krygowski, T.M.2
  • 61
  • 63
    • 0030959258 scopus 로고    scopus 로고
    • J. Am. Chem. Soc.
    • K. K. Thoen, H. I. Kenttämaa, J. Am. Chem. Soc. 1997, 119, 3832-3833.
    • (1997) , vol.119 , pp. 3832-3833
    • Thoen, K.K.1    Kenttämaa, H.I.2
  • 65
    • 0141854340 scopus 로고    scopus 로고
    • Org. Lett.
    • K. R. Deaton, M. S. Gin, Org. Lett. 2003, 5, 2477-2480.
    • (2003) , vol.5 , pp. 2477-2480
    • Deaton, K.R.1    Gin, M.S.2
  • 66
    • 0003659247 scopus 로고
    • J. Am. Chem. Soc.
    • A. Nicolaides, W. T. Borden, J. Am. Chem. Soc. 1993, 115, 11951-11957.
    • (1993) , vol.115 , pp. 11951-11957
    • Nicolaides, A.1    Borden, W.T.2
  • 67
    • 9744224621 scopus 로고
    • J. Am. Chem. Soc.
    • P. G. Wenthold, R. R. Squires, J. Am. Chem. Soc. 1994, 116, 6401-6412.
    • (1994) , vol.116 , pp. 6401-6412
    • Wenthold, P.G.1    Squires, R.R.2
  • 68
    • 0035980390 scopus 로고    scopus 로고
    • J. Am. Chem. Soc.
    • A. E. Clark, E. R. Davidson, J. Am. Chem. Soc. 2001, 123, 10691-10698.
    • (2001) , vol.123 , pp. 10691-10698
    • Clark, A.E.1    Davidson, E.R.2
  • 71
  • 72
    • 84889968357 scopus 로고
    • The Aromatic Sextex
    • John Wiley and Sons Ltd., London
    • E. Clar, The Aromatic Sextex, John Wiley and Sons Ltd., London, 1972.
    • (1972)
    • Clar, E.1
  • 73
    • 0004142484 scopus 로고
    • Aromaticity and Antiaromaticity: Electronic and Structural Aspects
    • Wiley, New York
    • V. I. Minkin, M. N. Glukhovtsev, B. Y. Simkin, Aromaticity and Antiaromaticity: Electronic and Structural Aspects, Wiley, New York, 1994.
    • (1994)
    • Minkin, V.I.1    Glukhovtsev, M.N.2    Simkin, B.Y.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.