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Volumn , Issue , 2010, Pages 245-270

Correlation between Electron Delocalization and Ring Currents in All Metallic “Aromatic” Compounds

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EID: 85137926287     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1201/EBK1439813348-18     Document Type: Chapter
Times cited : (2)

References (88)
  • 1
    • 0342522385 scopus 로고
    • Contributions to the notation of organic and inorganic compounds
    • Frankland, E.W. Contributions to the notation of organic and inorganic compounds. J. Chem. Soc. 1866, 19, 372-395.
    • (1866) J. Chem. Soc , vol.19 , pp. 372-395
    • Frankland, E.W.1
  • 2
    • 0002530663 scopus 로고
    • Sur la constitution des substances aromatiques
    • Kekule, A. Sur la constitution des substances aromatiques. Bull. Soc. Chim. 1865, 3, 98.
    • (1865) Bull. Soc. Chim , vol.3 , pp. 98
    • Kekule, A.1
  • 3
    • 0009100520 scopus 로고
    • Note sur quelques produits de substitution de la benzine
    • Kekule, A. Note sur quelques produits de substitution de la benzine. Bull. Acad. Roy. Belg. 1865, 119, 551.
    • (1865) Bull. Acad. Roy. Belg , vol.119 , pp. 551
    • Kekule, A.1
  • 4
    • 0010871890 scopus 로고
    • Untersuchungen uber aromatische Verbindungen
    • Kekule, A. Untersuchungen uber aromatische Verbindungen. Ann. Chem. 1865, 137, 129.
    • (1865) Ann. Chem , vol.137 , pp. 129
    • Kekule, A.1
  • 9
    • 0000867708 scopus 로고
    • Definition of aromaticity basing on harmonic oscillator model
    • Kruszewski, J.; Krygowski, T.M. Definition of aromaticity basing on harmonic oscillator model. Tetrahedron Lett. 1972, 36, 3839.
    • (1972) Tetrahedron Lett , vol.36 , pp. 3839
    • Kruszewski, J.1    Krygowski, T.M.2
  • 10
    • 27744578989 scopus 로고    scopus 로고
    • Energetic aspects of cyclic Pi-electron delocalization: Evaluation of the methods of estimating aromatic stabilization energies
    • Cyránski, M.K. Energetic aspects of cyclic Pi-electron delocalization: Evaluation of the methods of estimating aromatic stabilization energies. Chem. Rev. 2005, 105, 3773.
    • (2005) Chem. Rev , vol.105 , pp. 3773
    • Cyránski, M.K.1
  • 12
    • 0000662399 scopus 로고    scopus 로고
    • An evaluation of the aromaticity of inorganic rings: Refined evidence from magnetic properties
    • Schleyer, P.V.R.; Jiao, H.; Eikema Hommes, N.J.R.; Malkin, V.G.; Malkina, O. An evaluation of the aromaticity of inorganic rings: Refined evidence from magnetic properties. J. Am. Chem. Soc. 1997, 119, 12669.
    • (1997) J. Am. Chem. Soc , vol.119 , pp. 12669
    • Schleyer, P.V.R.1    Jiao, H.2    Eikema Hommes, N.J.R.3    Malkin, V.G.4    Malkina, O.5
  • 14
    • 0000719180 scopus 로고
    • Quantum theory of interatomic currents in aromatic compounds
    • London, F. Quantum theory of interatomic currents in aromatic compounds. J. Phys. Radium 1937, 8, 397.
    • (1937) J. Phys. Radium , vol.8 , pp. 397
    • London, F.1
  • 15
    • 27744481399 scopus 로고    scopus 로고
    • Theoretical evaluation of electron delocalization in aromatic molecules by means of atoms in molecules (AIM) and electron localization function (ELF) topological approaches
    • Poater, J.; Duran, M.; Solà, M.; Silvi, B. Theoretical evaluation of electron delocalization in aromatic molecules by means of atoms in molecules (AIM) and electron localization function (ELF) topological approaches. Chem. Rev. 2005, 105, 3911.
    • (2005) Chem. Rev , vol.105 , pp. 3911
    • Poater, J.1    Duran, M.2    Solà, M.3    Silvi, B.4
  • 16
    • 0037455221 scopus 로고    scopus 로고
    • The delocalization index as an electronic aromaticity criterion: Application to a series of planar polycyclic aromatic hydrocarbons
    • Poater, J.; Fradera, X.; Duran, M.; Solà, M. The delocalization index as an electronic aromaticity criterion: Application to a series of planar polycyclic aromatic hydrocarbons. Chem. Eur. J. 2003, 9, 400.
    • (2003) Chem. Eur. J , vol.9 , pp. 400
    • Poater, J.1    Fradera, X.2    Duran, M.3    Solà, M.4
  • 19
    • 22544482677 scopus 로고    scopus 로고
    • Multicenter bond indices as a new measure of aromaticity in polycyclic aromatic hydrocarbons
    • Bultinck, P.; Ponec, R.; Van Damme, S. Multicenter bond indices as a new measure of aromaticity in polycyclic aromatic hydrocarbons. J. Phys. Org. Chem. 2005, 18, 706.
    • (2005) J. Phys. Org. Chem , vol.18 , pp. 706
    • Bultinck, P.1    Ponec, R.2    Van Damme, S.3
  • 20
    • 84986958669 scopus 로고
    • Aromaticity as a multidimensional phenomenon
    • Jug, K.; Koster, A.M. Aromaticity as a multidimensional phenomenon. J. Phys. Org. Chem. 1991, 4, 163.
    • (1991) J. Phys. Org. Chem , vol.4 , pp. 163
    • Jug, K.1    Koster, A.M.2
  • 21
    • 0000345199 scopus 로고    scopus 로고
    • Aromaticity as a quantitative concept. 7. Aromaticity reaffirmed as a multidimensional characteristic
    • Katritzky, A.R.; Karelson, M.; Sild, S.; Krygowski, T.M.; Jug, K. Aromaticity as a quantitative concept. 7. Aromaticity reaffirmed as a multidimensional characteristic. J. Org. Chem. 1998, 63, 5228.
    • (1998) J. Org. Chem , vol.63 , pp. 5228
    • Katritzky, A.R.1    Karelson, M.2    Sild, S.3    Krygowski, T.M.4    Jug, K.5
  • 22
    • 0042621862 scopus 로고
    • Szafran, M. Aromaticity as a quantitative concept. 1. A statistical demonstration of the orthogonality of classical and magnetic aromaticity in 5-membered and 6-membered heterocycles
    • Katritzky, A.R.; Barczynski, P.; Musumarra, G.; Pisano, D.; Szafran, M. Aromaticity as a quantitative concept. 1. A statistical demonstration of the orthogonality of classical and magnetic aromaticity in 5-membered and 6-membered heterocycles. J. Am. Chem. Soc. 1989, 111, 7.
    • (1989) J. Am. Chem. Soc , vol.111 , pp. 7
    • Katritzky, A.R.1    Barczynski, P.2    Musumarra, G.3    Pisano, D.4
  • 23
    • 38349162580 scopus 로고    scopus 로고
    • Multidimensionality of delocalization indices and nucleus independent chemical shifts in polycyclic aromatic hydrocarbons
    • Fias, S.; Van Damme, S.; Bultinck, P. Multidimensionality of delocalization indices and nucleus independent chemical shifts in polycyclic aromatic hydrocarbons. J. Comput. Chem. 2008, 29, 358.
    • (2008) J. Comput. Chem , vol.29 , pp. 358
    • Fias, S.1    Van Damme, S.2    Bultinck, P.3
  • 24
    • 53849122960 scopus 로고    scopus 로고
    • Correlation of delocalization indices and current-density maps in polycyclic aromatic hydrocarbons
    • Fias, S.; Fowler, P.W.; Delgado, J.L.; Hahn, U.; Bultinck, P. Correlation of delocalization indices and current-density maps in polycyclic aromatic hydrocarbons. Chem. Eur. J. 2008, 14, 3093.
    • (2008) Chem. Eur. J , vol.14 , pp. 3093
    • Fias, S.1    Fowler, P.W.2    Delgado, J.L.3    Hahn, U.4    Bultinck, P.5
  • 25
    • 33846448212 scopus 로고    scopus 로고
    • Generalized Polansky index as a new means for the quantitative characterization of aromaticity in polycyclic aromatic hydrocarbons
    • Bultinck, P.; Ponec, R.; Gallegos, A.; Fias, S.; Van Damme, S.; Carbó-Dorca, R. Generalized Polansky index as a new means for the quantitative characterization of aromaticity in polycyclic aromatic hydrocarbons. Croat. Chem. Acta 2006, 79, 363.
    • (2006) Croat. Chem. Acta , vol.79 , pp. 363
    • Bultinck, P.1    Ponec, R.2    Gallegos, A.3    Fias, S.4    Van Damme, S.5    Carbó-Dorca, R.6
  • 26
    • 33846636382 scopus 로고    scopus 로고
    • A molecular quantum similarity and generalized population analysis of the aromaticity in linear polyacenes
    • Bultinck, P.; Ponec, R.; Carbó-Dorca, R. A molecular quantum similarity and generalized population analysis of the aromaticity in linear polyacenes. J. Comput. Chem. 2007, 28, 152.
    • (2007) J. Comput. Chem , vol.28 , pp. 152
    • Bultinck, P.1    Ponec, R.2    Carbó-Dorca, R.3
  • 27
    • 33845202357 scopus 로고    scopus 로고
    • Local aromaticity via generalized population analysis and quantum similarity versus magnetic indices
    • Bultinck, P.; Fias, S.; Ponec, R. Local aromaticity via generalized population analysis and quantum similarity versus magnetic indices. Chem. Eur. J. 2006, 12, 8813.
    • (2006) Chem. Eur. J , vol.12 , pp. 8813
    • Bultinck, P.1    Fias, S.2    Ponec, R.3
  • 28
    • 0000531639 scopus 로고
    • Aromaticity-exercise in chemical futility
    • Binsch, G. Aromaticity-exercise in chemical futility. Naturwissenschaften 1973, 60, 369.
    • (1973) Naturwissenschaften , vol.60 , pp. 369
    • Binsch, G.1
  • 31
    • 27744516383 scopus 로고    scopus 로고
    • All-metal aromaticity and antiaromaticity
    • Boldyrev, A.I.; Wang, L.-S. All-metal aromaticity and antiaromaticity. Chem. Rev. 2005, 249, 3716.
    • (2005) Chem. Rev , vol.249 , pp. 3716
    • Boldyrev, A.I.1    Wang, L.-S.2
  • 32
    • 27844488401 scopus 로고    scopus 로고
    • DFT study of “all-metal” aromatic compounds
    • Tsipis, C.A. DFT study of “all-metal” aromatic compounds. Coord. Chem. Rev. 2005, 249, 2740.
    • (2005) Coord. Chem. Rev , vol.249 , pp. 2740
    • Tsipis, C.A.1
  • 42
    • 1242309807 scopus 로고    scopus 로고
    • Sigma-pi separation of the electron localization function and aromaticity
    • Santos, J.C.; Tiznado, W.; Contreras, R.; Fuentealba, P. Sigma-pi separation of the electron localization function and aromaticity. J. Chem. Phys. 2004, 120, 1670.
    • (2004) J. Chem. Phys , vol.120 , pp. 1670
    • Santos, J.C.1    Tiznado, W.2    Contreras, R.3    Fuentealba, P.4
  • 44
    • 0037060156 scopus 로고    scopus 로고
    • On the resonance energy in new all-metal aromatic molecules
    • Boldyrev, A.I.; Kuznetsov, A.E. On the resonance energy in new all-metal aromatic molecules. Inorg. Chem. 2002, 41, 532.
    • (2002) Inorg. Chem , vol.41 , pp. 532
    • Boldyrev, A.I.1    Kuznetsov, A.E.2
  • 48
    • 0011407476 scopus 로고
    • Some recent advances in density matrix theory
    • McWeeny, R. Some recent advances in density matrix theory. Rev. Mod. Phys. 1960, 32, 335.
    • (1960) Rev. Mod. Phys , vol.32 , pp. 335
    • McWeeny, R.1
  • 49
    • 0031535033 scopus 로고    scopus 로고
    • Electron pairing and chemical bonds. Chemical structures, valences and structural similarities from the analysis of Fermi holes
    • Ponec, R. Electron pairing and chemical bonds. Chemical structures, valences and structural similarities from the analysis of Fermi holes. J. Math. Chem. 1997, 21, 323.
    • (1997) J. Math. Chem , vol.21 , pp. 323
    • Ponec, R.1
  • 50
    • 0032393953 scopus 로고    scopus 로고
    • Electron pairing and chemical bonds. Molecular structure form the analysis of pair density and related quantities
    • Ponec, R. Electron pairing and chemical bonds. Molecular structure form the analysis of pair density and related quantities. J. Math. Chem. 1998, 23, 85.
    • (1998) J. Math. Chem , vol.23 , pp. 85
    • Ponec, R.1
  • 51
    • 84987102159 scopus 로고
    • Isopycnic orbital transformations and localization of natural orbital
    • Cioslowski, J. Isopycnic orbital transformations and localization of natural orbital. Int. J. Quant. Chem. Symp. 1990, 24, 15.
    • (1990) Int. J. Quant. Chem. Symp , vol.24 , pp. 15
    • Cioslowski, J.1
  • 53
    • 0034614542 scopus 로고    scopus 로고
    • Ab-initio theoretical study of three-center bonding on the basis of bond index
    • Sannigrahi, A.B.; Kar, T.K. Ab-initio theoretical study of three-center bonding on the basis of bond index. J. Mol. Struct. (THEOCHEM) 2000, 496 1.
    • (2000) J. Mol. Struct. (THEOCHEM) , vol.496 , pp. 1
    • Sannigrahi, A.B.1    Kar, T.K.2
  • 54
    • 23644434072 scopus 로고    scopus 로고
    • Anatomy of bond formation. Bond length dependence of the extent of electron sharing in chemical bonds
    • Ponec, R.; Cooper, D.L. Anatomy of bond formation. Bond length dependence of the extent of electron sharing in chemical bonds. J. Mol. Struct. (THEOCHEM) 2005, 727, 133.
    • (2005) J. Mol. Struct. (THEOCHEM) , vol.727 , pp. 133
    • Ponec, R.1    Cooper, D.L.2
  • 56
    • 37549006850 scopus 로고
    • Application of Pople-Santry-Segal CNDO method to cyclopropylcarbinyl and cyclobutyl cation and to bicyclobutane
    • Wiberg, K.B. Application of Pople-Santry-Segal CNDO method to cyclopropylcarbinyl and cyclobutyl cation and to bicyclobutane. Tetrahedron, 1968, 24, 1083.
    • (1968) Tetrahedron , vol.24 , pp. 1083
    • Wiberg, K.B.1
  • 57
    • 0002241380 scopus 로고
    • Definition of a bond index with non-orthogonal basis-properties and applications
    • Giambiagi, M.; Giambiagi, M.S.; Grempel, D.R.; Heymann, C.D. Definition of a bond index with non-orthogonal basis-properties and applications. J. Chim. Phys. 1975, 72, 15.
    • (1975) J. Chim. Phys , vol.72 , pp. 15
    • Giambiagi, M.1    Giambiagi, M.S.2    Grempel, D.R.3    Heymann, C.D.4
  • 58
    • 0000661243 scopus 로고
    • Charge, bond order and valences in the ab-initio SCF theory
    • Mayer, I. Charge, bond order and valences in the ab-initio SCF theory. Chem. Phys. Lett. 1983, 97, 270.
    • (1983) Chem. Phys. Lett , vol.97 , pp. 270
    • Mayer, I.1
  • 59
    • 33750347300 scopus 로고    scopus 로고
    • Analysis of electron delocalization in aromatic systems: Individual molecular orbital contributions to para-delocalization indexes (PDI)
    • Guell, M.; Matito, E.; Luis, J.M.; Poater, J.; Sola, M. Analysis of electron delocalization in aromatic systems: Individual molecular orbital contributions to para-delocalization indexes (PDI). J. Phys. Chem. A, 2006, 110, 11569.
    • (2006) J. Phys. Chem. A , vol.110 , pp. 11569
    • Guell, M.1    Matito, E.2    Luis, J.M.3    Poater, J.4    Sola, M.5
  • 60
    • 79959281627 scopus 로고    scopus 로고
    • Atoms in molecules and population analysis
    • Ed. P.K. Chattaraj, CRC Press: New York
    • Bultinck, P. and Popelier, P. Atoms in molecules and population analysis. In Chemical Reactivity Theory, A Density Functional View, Ed. P.K. Chattaraj, CRC Press: New York, 2009, 215, 228.
    • (2009) Chemical Reactivity Theory, A Density Functional View , vol.215 , pp. 228
    • Bultinck, P.1    Popelier, P.2
  • 61
    • 11644266970 scopus 로고
    • Electronic population analysis on LCAO-MO molecular wave functions. 1
    • Mulliken, R.S. Electronic population analysis on LCAO-MO molecular wave functions. 1. J. Chem. Phys. 1955, 23, 1833.
    • (1955) J. Chem. Phys , vol.23 , pp. 1833
    • Mulliken, R.S.1
  • 62
    • 36849130718 scopus 로고
    • Electronic population analysis on LCAO-MO molecular wave functions. 2. Overlap populations, bond orders, and covalent bond energies
    • Mulliken, R.S. Electronic population analysis on LCAO-MO molecular wave functions. 2. Overlap populations, bond orders, and covalent bond energies. J. Chem. Phys. 1955, 23, 1841.
    • (1955) J. Chem. Phys , vol.23 , pp. 1841
    • Mulliken, R.S.1
  • 63
    • 36849131261 scopus 로고
    • Electronic population analysis on LCAO-MO molecular wave functions. 3. Effects of hybridization on overlap and gross AO populations
    • Mulliken, R.S. Electronic population analysis on LCAO-MO molecular wave functions. 3. Effects of hybridization on overlap and gross AO populations. J. Chem. Phys. 1955, 23, 2338.
    • (1955) J. Chem. Phys , vol.23 , pp. 2338
    • Mulliken, R.S.1
  • 64
    • 0041555242 scopus 로고
    • Electronic population analysis on LCAO-MO molecular wave functions. Bonding and antibonding in LCAO and valence-bond theories
    • Mulliken, R.S. Electronic population analysis on LCAO-MO molecular wave functions. 4. Bonding and antibonding in LCAO and valence-bond theories. J. Chem. Phys. 1955, 23, 2343.
    • (1955) J. Chem. Phys , vol.23 , pp. 2343
    • Mulliken, R.S.1
  • 66
    • 0345401784 scopus 로고
    • A quantum-theory of molecular-structure and its applications
    • Bader, R.F.W. A quantum-theory of molecular-structure and its applications. Chem. Rev. 1991, 91, 893.
    • (1991) Chem. Rev , vol.91 , pp. 893
    • Bader, R.F.W.1
  • 68
    • 0001553329 scopus 로고
    • Bonded-atom fragments for describing molecular charge-densities
    • Hirshfeld, F.L. Bonded-atom fragments for describing molecular charge-densities. Theor. Chim. Acta 1977, 44, 129.
    • (1977) Theor. Chim. Acta , vol.44 , pp. 129
    • Hirshfeld, F.L.1
  • 71
  • 73
    • 0034254984 scopus 로고    scopus 로고
    • Information theory, atoms in molecules, and molecular similarity
    • Nalewajski, R.F.; Parr, R.G. Information theory, atoms in molecules, and molecular similarity. Proc. Natl. Acad. Sci. USA 2000, 97, 8879.
    • (2000) Proc. Natl. Acad. Sci. USA , vol.97 , pp. 8879
    • Nalewajski, R.F.1    Parr, R.G.2
  • 74
    • 0034511481 scopus 로고    scopus 로고
    • Atoms in molecules, an axiomatic approach. I. Maximum transferability
    • Ayers, P.W. Atoms in molecules, an axiomatic approach. I. Maximum transferability. J. Chem. Phys. 2000, 113, 10886.
    • (2000) J. Chem. Phys , vol.113 , pp. 10886
    • Ayers, P.W.1
  • 75
    • 33646713000 scopus 로고    scopus 로고
    • Information theory, the shape function, and the hirshfeld atom
    • Ayers, P.W. Information theory, the shape function, and the hirshfeld atom. Theor. Chem. Acc. 2006, 115, 370.
    • (2006) Theor. Chem. Acc , vol.115 , pp. 370
    • Ayers, P.W.1
  • 76
    • 0000165116 scopus 로고
    • A test of the hirshfeld definition of atomic charges and moments
    • Davidson, E.R.; Chakravorty, S. A test of the hirshfeld definition of atomic charges and moments. Theor. Chim. Acta 1992, 83, 319.
    • (1992) Theor. Chim. Acta , vol.83 , pp. 319
    • Davidson, E.R.1    Chakravorty, S.2
  • 77
    • 6344255191 scopus 로고    scopus 로고
    • Atomic charges are measurable quantum expectation values:A rebuttal of criticisms of QTAIM charges
    • Bader, R.F.W., Matta, C.F. Atomic charges are measurable quantum expectation values:A rebuttal of criticisms of QTAIM charges. J. Phys. Chem. A 2004, 108, 8385.
    • (2004) J. Phys. Chem. A , vol.108 , pp. 8385
    • Bader, R.F.W.1    Matta, C.F.2
  • 78
    • 33745444250 scopus 로고    scopus 로고
    • An experimentalist’s reply to “What is an atom in a molecule?"
    • Matta, C.F.; Bader, R.F.W. An experimentalist’s reply to “What is an atom in a molecule?" J. Phys. Chem. A 2006, 110, 6365.
    • (2006) J. Phys. Chem. A , vol.110 , pp. 6365
    • Matta, C.F.1    Bader, R.F.W.2
  • 79
    • 0000197433 scopus 로고
    • Calculation of magnetic response properties using a continuous set of gauge transformations
    • Keith, T.A.; Bader, R.F.W. Calculation of magnetic response properties using a continuous set of gauge transformations. Chem. Phys. Lett. 1993, 210, 223.
    • (1993) Chem. Phys. Lett , vol.210 , pp. 223
    • Keith, T.A.1    Bader, R.F.W.2
  • 80
    • 0001560524 scopus 로고
    • On CHF calculations of 2nd-order magnetic-properties using the method of continuous transformation of origin of the current-density
    • Coriani, S.; Lazzeretti, P.; Malagoli, M.; Zanasi, R. On CHF calculations of 2nd-order magnetic-properties using the method of continuous transformation of origin of the current-density. Theor. Chim. Acta, 1994, 89, 181.
    • (1994) Theor. Chim. Acta , vol.89 , pp. 181
    • Coriani, S.1    Lazzeretti, P.2    Malagoli, M.3    Zanasi, R.4
  • 81
    • 0000100601 scopus 로고    scopus 로고
    • Ring currents in aromatic hydrocarbons
    • Steiner, E.; Fowler, P.W. Ring currents in aromatic hydrocarbons. Int. J. Quant. Chem. 1996, 60, 609.
    • (1996) Int. J. Quant. Chem , vol.60 , pp. 609
    • Steiner, E.1    Fowler, P.W.2
  • 82
    • 34250666204 scopus 로고    scopus 로고
    • Aromaticity, pi-electron delocalization, and ring currents
    • Fowler, P.W.; Lillington, M.; Olson, L.P. Aromaticity, pi-electron delocalization, and ring currents. Pure Appl. Chem. 2007, 79, 969.
    • (2007) Pure Appl. Chem , vol.79 , pp. 969
    • Fowler, P.W.1    Lillington, M.2    Olson, L.P.3
  • 83
    • 0942268771 scopus 로고    scopus 로고
    • On the orbital analysis of magnetic properties
    • Steiner, E.; Fowler, P.W. On the orbital analysis of magnetic properties. Phys. Chem. Chem. Phys. 2004, 6, 261.
    • (2004) Phys. Chem. Chem. Phys , vol.6 , pp. 261
    • Steiner, E.1    Fowler, P.W.2
  • 86
    • 0042879754 scopus 로고    scopus 로고
    • Analysis of aromatic delocalization: Individual molecular orbital contributions to nucleus- independent chemical shifts
    • Heine, T.; Schleyer, P.V.R.; Corminboeuf, C.; Seifert, G.; Reviakine, R.; Weber, J. Analysis of aromatic delocalization: Individual molecular orbital contributions to nucleus- independent chemical shifts. J. Phys. Chem. A, 2003, 107, 6470.
    • (2003) J. Phys. Chem. A , vol.107 , pp. 6470
    • Heine, T.1    Schleyer, P.V.R.2    Corminboeuf, C.3    Seifert, G.4    Reviakine, R.5    Weber, J.6
  • 87
    • 40749094858 scopus 로고
    • Self-consistent perturbation-theory of diamagnetism. 1. Gauge-invariant LCAO method for NMR chemical-shifts
    • Ditchfield, R. Self-consistent perturbation-theory of diamagnetism. 1. Gauge-invariant LCAO method for NMR chemical-shifts. Mol. Phys. 1974, 27, 789.
    • (1974) Mol. Phys , vol.27 , pp. 789
    • Ditchfield, R.1
  • 88
    • 77953286214 scopus 로고    scopus 로고
    • Contributions from orbital-orbital interactions to nucleus-independent chemical shifts and their relation with aromaticity or antiaromaticity of conjugated molecules
    • Pérez-Juste, I.; Mandado, M.; Carballeira, L. Contributions from orbital-orbital interactions to nucleus-independent chemical shifts and their relation with aromaticity or antiaromaticity of conjugated molecules. J. Chem. Phys. Lett. 2009, DOI 10.1016/j. cplett.2010.03.77.
    • (2009) J. Chem. Phys. Lett
    • Pérez-Juste, I.1    Mandado, M.2    Carballeira, L.3


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