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Journal of the Chemical Society. Perkin Transactions 2

Volumn , Issue 7, 1999, Pages 1469-1473

Pyramidal inversion energies and conformational analysis of chalcogen-onium imides based on ab initio MO calculations

(3) Shimizu, Toshio a Kamigata, Nobumasa a Ikuta, Shigeru a

a TOKYO METROPOLITAN UNIVERSITY (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001927784 PISSN: 03009580 EISSN: None Source Type: Journal
DOI: 10.1039/a900315k Document Type: Article

Times cited : (19)

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- For other methods and basis sets employed: LANL2DZ: P. J. Hay and W. R. Wadt, J. Chem. Phys., 1985, 82, 270; W. R. Wadt and P. J. Hay, J. Chem. Phys., 1985, 82, 284; P. J. Hay and W. R. Wadt, J. Chem. Phys., 1985, 82, 299; 6-31G: R. Ditchfield, W. J. Hehre and J. A. Pople, J. Chem. Phys., 1971, 54, 724; W. J. Hehre, R. Ditchfield and J. A. Pople, J. Chem. Phys., 1972, 56, 2257; P. C. Hariharan and J. A. Pople, Mol. Phys., 1974, 27, 209; M. S. Gordon, Chem. Phys. Lett., 1980, 76, 209; P. C. Hariharan and J. A. Pople, Theor. Chim. Acta, 1974, 28, 213; 6-311G: A. D. McLean and G. S. Chandler, J. Chem. Phys., 1980, 72, 5639; R. Krishnan, J. S. Binkley, R. Seeger and J. A. Pople, J. Chem. Phys., 1980, 72, 650; ++: T. Clark, J. Chandrasekhar, G. W. Spitznagel and P. V. R. Schleyer, J. Comput. Chem., 1983, 4, 194; 3df,2p: M. J. Frish, J. A. Pople and J. S. Binkley, J. Chem. Phys., 1984, 80, 3265; cc-pVTZ: T. H. Dunning, Jr., J. Chem. Phys., 1989, 90, 1007; R. A. Kendall, T. H. Dunning, Jr. and R. J. Harrison, J. Chem. Phys., 1992, 96, 6796; K. A. Peterson, D. E. Wood and T. H. Dunning, Jr., J. Chem. Phys., 1994, 100, 7410.
- (1985) J. Chem. Phys. , vol.82 , pp. 284
- Wadt, W.R.¹ Hay, P.J.²

44
- 27344448074
- For other methods and basis sets employed: LANL2DZ: P. J. Hay and W. R. Wadt, J. Chem. Phys., 1985, 82, 270; W. R. Wadt and P. J. Hay, J. Chem. Phys., 1985, 82, 284; P. J. Hay and W. R. Wadt, J. Chem. Phys., 1985, 82, 299; 6-31G: R. Ditchfield, W. J. Hehre and J. A. Pople, J. Chem. Phys., 1971, 54, 724; W. J. Hehre, R. Ditchfield and J. A. Pople, J. Chem. Phys., 1972, 56, 2257; P. C. Hariharan and J. A. Pople, Mol. Phys., 1974, 27, 209; M. S. Gordon, Chem. Phys. Lett., 1980, 76, 209; P. C. Hariharan and J. A. Pople, Theor. Chim. Acta, 1974, 28, 213; 6-311G: A. D. McLean and G. S. Chandler, J. Chem. Phys., 1980, 72, 5639; R. Krishnan, J. S. Binkley, R. Seeger and J. A. Pople, J. Chem. Phys., 1980, 72, 650; ++: T. Clark, J. Chandrasekhar, G. W. Spitznagel and P. V. R. Schleyer, J. Comput. Chem., 1983, 4, 194; 3df,2p: M. J. Frish, J. A. Pople and J. S. Binkley, J. Chem. Phys., 1984, 80, 3265; cc-pVTZ: T. H. Dunning, Jr., J. Chem. Phys., 1989, 90, 1007; R. A. Kendall, T. H. Dunning, Jr. and R. J. Harrison, J. Chem. Phys., 1992, 96, 6796; K. A. Peterson, D. E. Wood and T. H. Dunning, Jr., J. Chem. Phys., 1994, 100, 7410.
- (1985) J. Chem. Phys. , vol.82 , pp. 299
- Hay, P.J.¹ Wadt, W.R.²

45
- 36849115659
- For other methods and basis sets employed: LANL2DZ: P. J. Hay and W. R. Wadt, J. Chem. Phys., 1985, 82, 270; W. R. Wadt and P. J. Hay, J. Chem. Phys., 1985, 82, 284; P. J. Hay and W. R. Wadt, J. Chem. Phys., 1985, 82, 299; 6-31G: R. Ditchfield, W. J. Hehre and J. A. Pople, J. Chem. Phys., 1971, 54, 724; W. J. Hehre, R. Ditchfield and J. A. Pople, J. Chem. Phys., 1972, 56, 2257; P. C. Hariharan and J. A. Pople, Mol. Phys., 1974, 27, 209; M. S. Gordon, Chem. Phys. Lett., 1980, 76, 209; P. C. Hariharan and J. A. Pople, Theor. Chim. Acta, 1974, 28, 213; 6-311G: A. D. McLean and G. S. Chandler, J. Chem. Phys., 1980, 72, 5639; R. Krishnan, J. S. Binkley, R. Seeger and J. A. Pople, J. Chem. Phys., 1980, 72, 650; ++: T. Clark, J. Chandrasekhar, G. W. Spitznagel and P. V. R. Schleyer, J. Comput. Chem., 1983, 4, 194; 3df,2p: M. J. Frish, J. A. Pople and J. S. Binkley, J. Chem. Phys., 1984, 80, 3265; cc-pVTZ: T. H. Dunning, Jr., J. Chem. Phys., 1989, 90, 1007; R. A. Kendall, T. H. Dunning, Jr. and R. J. Harrison, J. Chem. Phys., 1992, 96, 6796; K. A. Peterson, D. E. Wood and T. H. Dunning, Jr., J. Chem. Phys., 1994, 100, 7410.
- (1971) J. Chem. Phys. , vol.54 , pp. 724
- Ditchfield, R.¹ Hehre, W.J.² Pople, J.A.³

46
- 0347170005
- For other methods and basis sets employed: LANL2DZ: P. J. Hay and W. R. Wadt, J. Chem. Phys., 1985, 82, 270; W. R. Wadt and P. J. Hay, J. Chem. Phys., 1985, 82, 284; P. J. Hay and W. R. Wadt, J. Chem. Phys., 1985, 82, 299; 6-31G: R. Ditchfield, W. J. Hehre and J. A. Pople, J. Chem. Phys., 1971, 54, 724; W. J. Hehre, R. Ditchfield and J. A. Pople, J. Chem. Phys., 1972, 56, 2257; P. C. Hariharan and J. A. Pople, Mol. Phys., 1974, 27, 209; M. S. Gordon, Chem. Phys. Lett., 1980, 76, 209; P. C. Hariharan and J. A. Pople, Theor. Chim. Acta, 1974, 28, 213; 6-311G: A. D. McLean and G. S. Chandler, J. Chem. Phys., 1980, 72, 5639; R. Krishnan, J. S. Binkley, R. Seeger and J. A. Pople, J. Chem. Phys., 1980, 72, 650; ++: T. Clark, J. Chandrasekhar, G. W. Spitznagel and P. V. R. Schleyer, J. Comput. Chem., 1983, 4, 194; 3df,2p: M. J. Frish, J. A. Pople and J. S. Binkley, J. Chem. Phys., 1984, 80, 3265; cc-pVTZ: T. H. Dunning, Jr., J. Chem. Phys., 1989, 90, 1007; R. A. Kendall, T. H. Dunning, Jr. and R. J. Harrison, J. Chem. Phys., 1992, 96, 6796; K. A. Peterson, D. E. Wood and T. H. Dunning, Jr., J. Chem. Phys., 1994, 100, 7410.
- (1972) J. Chem. Phys. , vol.56 , pp. 2257
- Hehre, W.J.¹ Ditchfield, R.² Pople, J.A.³

47
- 0000812163
- For other methods and basis sets employed: LANL2DZ: P. J. Hay and W. R. Wadt, J. Chem. Phys., 1985, 82, 270; W. R. Wadt and P. J. Hay, J. Chem. Phys., 1985, 82, 284; P. J. Hay and W. R. Wadt, J. Chem. Phys., 1985, 82, 299; 6-31G: R. Ditchfield, W. J. Hehre and J. A. Pople, J. Chem. Phys., 1971, 54, 724; W. J. Hehre, R. Ditchfield and J. A. Pople, J. Chem. Phys., 1972, 56, 2257; P. C. Hariharan and J. A. Pople, Mol. Phys., 1974, 27, 209; M. S. Gordon, Chem. Phys. Lett., 1980, 76, 209; P. C. Hariharan and J. A. Pople, Theor. Chim. Acta, 1974, 28, 213; 6-311G: A. D. McLean and G. S. Chandler, J. Chem. Phys., 1980, 72, 5639; R. Krishnan, J. S. Binkley, R. Seeger and J. A. Pople, J. Chem. Phys., 1980, 72, 650; ++: T. Clark, J. Chandrasekhar, G. W. Spitznagel and P. V. R. Schleyer, J. Comput. Chem., 1983, 4, 194; 3df,2p: M. J. Frish, J. A. Pople and J. S. Binkley, J. Chem. Phys., 1984, 80, 3265; cc-pVTZ: T. H. Dunning, Jr., J. Chem. Phys., 1989, 90, 1007; R. A. Kendall, T. H. Dunning, Jr. and R. J. Harrison, J. Chem. Phys., 1992, 96, 6796; K. A. Peterson, D. E. Wood and T. H. Dunning, Jr., J. Chem. Phys., 1994, 100, 7410.
- (1974) Mol. Phys. , vol.27 , pp. 209
- Hariharan, P.C.¹ Pople, J.A.²

48
- 4243733644
- For other methods and basis sets employed: LANL2DZ: P. J. Hay and W. R. Wadt, J. Chem. Phys., 1985, 82, 270; W. R. Wadt and P. J. Hay, J. Chem. Phys., 1985, 82, 284; P. J. Hay and W. R. Wadt, J. Chem. Phys., 1985, 82, 299; 6-31G: R. Ditchfield, W. J. Hehre and J. A. Pople, J. Chem. Phys., 1971, 54, 724; W. J. Hehre, R. Ditchfield and J. A. Pople, J. Chem. Phys., 1972, 56, 2257; P. C. Hariharan and J. A. Pople, Mol. Phys., 1974, 27, 209; M. S. Gordon, Chem. Phys. Lett., 1980, 76, 209; P. C. Hariharan and J. A. Pople, Theor. Chim. Acta, 1974, 28, 213; 6-311G: A. D. McLean and G. S. Chandler, J. Chem. Phys., 1980, 72, 5639; R. Krishnan, J. S. Binkley, R. Seeger and J. A. Pople, J. Chem. Phys., 1980, 72, 650; ++: T. Clark, J. Chandrasekhar, G. W. Spitznagel and P. V. R. Schleyer, J. Comput. Chem., 1983, 4, 194; 3df,2p: M. J. Frish, J. A. Pople and J. S. Binkley, J. Chem. Phys., 1984, 80, 3265; cc-pVTZ: T. H. Dunning, Jr., J. Chem. Phys., 1989, 90, 1007; R. A. Kendall, T. H. Dunning, Jr. and R. J. Harrison, J. Chem. Phys., 1992, 96, 6796; K. A. Peterson, D. E. Wood and T. H. Dunning, Jr., J. Chem. Phys., 1994, 100, 7410.
- (1980) Chem. Phys. Lett. , vol.76 , pp. 209
- Gordon, M.S.¹

49
- 33748545144
- For other methods and basis sets employed: LANL2DZ: P. J. Hay and W. R. Wadt, J. Chem. Phys., 1985, 82, 270; W. R. Wadt and P. J. Hay, J. Chem. Phys., 1985, 82, 284; P. J. Hay and W. R. Wadt, J. Chem. Phys., 1985, 82, 299; 6-31G: R. Ditchfield, W. J. Hehre and J. A. Pople, J. Chem. Phys., 1971, 54, 724; W. J. Hehre, R. Ditchfield and J. A. Pople, J. Chem. Phys., 1972, 56, 2257; P. C. Hariharan and J. A. Pople, Mol. Phys., 1974, 27, 209; M. S. Gordon, Chem. Phys. Lett., 1980, 76, 209; P. C. Hariharan and J. A. Pople, Theor. Chim. Acta, 1974, 28, 213; 6-311G: A. D. McLean and G. S. Chandler, J. Chem. Phys., 1980, 72, 5639; R. Krishnan, J. S. Binkley, R. Seeger and J. A. Pople, J. Chem. Phys., 1980, 72, 650; ++: T. Clark, J. Chandrasekhar, G. W. Spitznagel and P. V. R. Schleyer, J. Comput. Chem., 1983, 4, 194; 3df,2p: M. J. Frish, J. A. Pople and J. S. Binkley, J. Chem. Phys., 1984, 80, 3265; cc-pVTZ: T. H. Dunning, Jr., J. Chem. Phys., 1989, 90, 1007; R. A. Kendall, T. H. Dunning, Jr. and R. J. Harrison, J. Chem. Phys., 1992, 96, 6796; K. A. Peterson, D. E. Wood and T. H. Dunning, Jr., J. Chem. Phys., 1994, 100, 7410.
- (1974) Theor. Chim. Acta , vol.28 , pp. 213
- Hariharan, P.C.¹ Pople, J.A.²

50
- 0141509423
- For other methods and basis sets employed: LANL2DZ: P. J. Hay and W. R. Wadt, J. Chem. Phys., 1985, 82, 270; W. R. Wadt and P. J. Hay, J. Chem. Phys., 1985, 82, 284; P. J. Hay and W. R. Wadt, J. Chem. Phys., 1985, 82, 299; 6-31G: R. Ditchfield, W. J. Hehre and J. A. Pople, J. Chem. Phys., 1971, 54, 724; W. J. Hehre, R. Ditchfield and J. A. Pople, J. Chem. Phys., 1972, 56, 2257; P. C. Hariharan and J. A. Pople, Mol. Phys., 1974, 27, 209; M. S. Gordon, Chem. Phys. Lett., 1980, 76, 209; P. C. Hariharan and J. A. Pople, Theor. Chim. Acta, 1974, 28, 213; 6-311G: A. D. McLean and G. S. Chandler, J. Chem. Phys., 1980, 72, 5639; R. Krishnan, J. S. Binkley, R. Seeger and J. A. Pople, J. Chem. Phys., 1980, 72, 650; ++: T. Clark, J. Chandrasekhar, G. W. Spitznagel and P. V. R. Schleyer, J. Comput. Chem., 1983, 4, 194; 3df,2p: M. J. Frish, J. A. Pople and J. S. Binkley, J. Chem. Phys., 1984, 80, 3265; cc-pVTZ: T. H. Dunning, Jr., J. Chem. Phys., 1989, 90, 1007; R. A. Kendall, T. H. Dunning, Jr. and R. J. Harrison, J. Chem. Phys., 1992, 96, 6796; K. A. Peterson, D. E. Wood and T. H. Dunning, Jr., J. Chem. Phys., 1994, 100, 7410.
- (1980) J. Chem. Phys. , vol.72 , pp. 5639
- McLean, A.D.¹ Chandler, G.S.²

51
- 26844534384
- For other methods and basis sets employed: LANL2DZ: P. J. Hay and W. R. Wadt, J. Chem. Phys., 1985, 82, 270; W. R. Wadt and P. J. Hay, J. Chem. Phys., 1985, 82, 284; P. J. Hay and W. R. Wadt, J. Chem. Phys., 1985, 82, 299; 6-31G: R. Ditchfield, W. J. Hehre and J. A. Pople, J. Chem. Phys., 1971, 54, 724; W. J. Hehre, R. Ditchfield and J. A. Pople, J. Chem. Phys., 1972, 56, 2257; P. C. Hariharan and J. A. Pople, Mol. Phys., 1974, 27, 209; M. S. Gordon, Chem. Phys. Lett., 1980, 76, 209; P. C. Hariharan and J. A. Pople, Theor. Chim. Acta, 1974, 28, 213; 6-311G: A. D. McLean and G. S. Chandler, J. Chem. Phys., 1980, 72, 5639; R. Krishnan, J. S. Binkley, R. Seeger and J. A. Pople, J. Chem. Phys., 1980, 72, 650; ++: T. Clark, J. Chandrasekhar, G. W. Spitznagel and P. V. R. Schleyer, J. Comput. Chem., 1983, 4, 194; 3df,2p: M. J. Frish, J. A. Pople and J. S. Binkley, J. Chem. Phys., 1984, 80, 3265; cc-pVTZ: T. H. Dunning, Jr., J. Chem. Phys., 1989, 90, 1007; R. A. Kendall, T. H. Dunning, Jr. and R. J. Harrison, J. Chem. Phys., 1992, 96, 6796; K. A. Peterson, D. E. Wood and T. H. Dunning, Jr., J. Chem. Phys., 1994, 100, 7410.
- (1980) J. Chem. Phys. , vol.72 , pp. 650
- Krishnan, R.¹ Binkley, J.S.² Seeger, R.³ Pople, J.A.⁴

52
- 0040286599
- For other methods and basis sets employed: LANL2DZ: P. J. Hay and W. R. Wadt, J. Chem. Phys., 1985, 82, 270; W. R. Wadt and P. J. Hay, J. Chem. Phys., 1985, 82, 284; P. J. Hay and W. R. Wadt, J. Chem. Phys., 1985, 82, 299; 6-31G: R. Ditchfield, W. J. Hehre and J. A. Pople, J. Chem. Phys., 1971, 54, 724; W. J. Hehre, R. Ditchfield and J. A. Pople, J. Chem. Phys., 1972, 56, 2257; P. C. Hariharan and J. A. Pople, Mol. Phys., 1974, 27, 209; M. S. Gordon, Chem. Phys. Lett., 1980, 76, 209; P. C. Hariharan and J. A. Pople, Theor. Chim. Acta, 1974, 28, 213; 6-311G: A. D. McLean and G. S. Chandler, J. Chem. Phys., 1980, 72, 5639; R. Krishnan, J. S. Binkley, R. Seeger and J. A. Pople, J. Chem. Phys., 1980, 72, 650; ++: T. Clark, J. Chandrasekhar, G. W. Spitznagel and P. V. R. Schleyer, J. Comput. Chem., 1983, 4, 194; 3df,2p: M. J. Frish, J. A. Pople and J. S. Binkley, J. Chem. Phys., 1984, 80, 3265; cc-pVTZ: T. H. Dunning, Jr., J. Chem. Phys., 1989, 90, 1007; R. A. Kendall, T. H. Dunning, Jr. and R. J. Harrison, J. Chem. Phys., 1992, 96, 6796; K. A. Peterson, D. E. Wood and T. H. Dunning, Jr., J. Chem. Phys., 1994, 100, 7410.
- (1983) J. Comput. Chem. , vol.4 , pp. 194
- Clark, T.¹ Chandrasekhar, J.² Spitznagel, G.W.³ Schleyer, P.V.R.⁴

53
- 36549091139
- For other methods and basis sets employed: LANL2DZ: P. J. Hay and W. R. Wadt, J. Chem. Phys., 1985, 82, 270; W. R. Wadt and P. J. Hay, J. Chem. Phys., 1985, 82, 284; P. J. Hay and W. R. Wadt, J. Chem. Phys., 1985, 82, 299; 6-31G: R. Ditchfield, W. J. Hehre and J. A. Pople, J. Chem. Phys., 1971, 54, 724; W. J. Hehre, R. Ditchfield and J. A. Pople, J. Chem. Phys., 1972, 56, 2257; P. C. Hariharan and J. A. Pople, Mol. Phys., 1974, 27, 209; M. S. Gordon, Chem. Phys. Lett., 1980, 76, 209; P. C. Hariharan and J. A. Pople, Theor. Chim. Acta, 1974, 28, 213; 6-311G: A. D. McLean and G. S. Chandler, J. Chem. Phys., 1980, 72, 5639; R. Krishnan, J. S. Binkley, R. Seeger and J. A. Pople, J. Chem. Phys., 1980, 72, 650; ++: T. Clark, J. Chandrasekhar, G. W. Spitznagel and P. V. R. Schleyer, J. Comput. Chem., 1983, 4, 194; 3df,2p: M. J. Frish, J. A. Pople and J. S. Binkley, J. Chem. Phys., 1984, 80, 3265; cc-pVTZ: T. H. Dunning, Jr., J. Chem. Phys., 1989, 90, 1007; R. A. Kendall, T. H. Dunning, Jr. and R. J. Harrison, J. Chem. Phys., 1992, 96, 6796; K. A. Peterson, D. E. Wood and T. H. Dunning, Jr., J. Chem. Phys., 1994, 100, 7410.
- (1984) J. Chem. Phys. , vol.80 , pp. 3265
- Frish, M.J.¹ Pople, J.A.² Binkley, J.S.³

54
- 33746614482
- For other methods and basis sets employed: LANL2DZ: P. J. Hay and W. R. Wadt, J. Chem. Phys., 1985, 82, 270; W. R. Wadt and P. J. Hay, J. Chem. Phys., 1985, 82, 284; P. J. Hay and W. R. Wadt, J. Chem. Phys., 1985, 82, 299; 6-31G: R. Ditchfield, W. J. Hehre and J. A. Pople, J. Chem. Phys., 1971, 54, 724; W. J. Hehre, R. Ditchfield and J. A. Pople, J. Chem. Phys., 1972, 56, 2257; P. C. Hariharan and J. A. Pople, Mol. Phys., 1974, 27, 209; M. S. Gordon, Chem. Phys. Lett., 1980, 76, 209; P. C. Hariharan and J. A. Pople, Theor. Chim. Acta, 1974, 28, 213; 6-311G: A. D. McLean and G. S. Chandler, J. Chem. Phys., 1980, 72, 5639; R. Krishnan, J. S. Binkley, R. Seeger and J. A. Pople, J. Chem. Phys., 1980, 72, 650; ++: T. Clark, J. Chandrasekhar, G. W. Spitznagel and P. V. R. Schleyer, J. Comput. Chem., 1983, 4, 194; 3df,2p: M. J. Frish, J. A. Pople and J. S. Binkley, J. Chem. Phys., 1984, 80, 3265; cc-pVTZ: T. H. Dunning, Jr., J. Chem. Phys., 1989, 90, 1007; R. A. Kendall, T. H. Dunning, Jr. and R. J. Harrison, J. Chem. Phys., 1992, 96, 6796; K. A. Peterson, D. E. Wood and T. H. Dunning, Jr., J. Chem. Phys., 1994, 100, 7410.
- (1989) J. Chem. Phys. , vol.90 , pp. 1007
- Dunning T.H., Jr.¹

55
- 4143095330
- For other methods and basis sets employed: LANL2DZ: P. J. Hay and W. R. Wadt, J. Chem. Phys., 1985, 82, 270; W. R. Wadt and P. J. Hay, J. Chem. Phys., 1985, 82, 284; P. J. Hay and W. R. Wadt, J. Chem. Phys., 1985, 82, 299; 6-31G: R. Ditchfield, W. J. Hehre and J. A. Pople, J. Chem. Phys., 1971, 54, 724; W. J. Hehre, R. Ditchfield and J. A. Pople, J. Chem. Phys., 1972, 56, 2257; P. C. Hariharan and J. A. Pople, Mol. Phys., 1974, 27, 209; M. S. Gordon, Chem. Phys. Lett., 1980, 76, 209; P. C. Hariharan and J. A. Pople, Theor. Chim. Acta, 1974, 28, 213; 6-311G: A. D. McLean and G. S. Chandler, J. Chem. Phys., 1980, 72, 5639; R. Krishnan, J. S. Binkley, R. Seeger and J. A. Pople, J. Chem. Phys., 1980, 72, 650; ++: T. Clark, J. Chandrasekhar, G. W. Spitznagel and P. V. R. Schleyer, J. Comput. Chem., 1983, 4, 194; 3df,2p: M. J. Frish, J. A. Pople and J. S. Binkley, J. Chem. Phys., 1984, 80, 3265; cc-pVTZ: T. H. Dunning, Jr., J. Chem. Phys., 1989, 90, 1007; R. A. Kendall, T. H. Dunning, Jr. and R. J. Harrison, J. Chem. Phys., 1992, 96, 6796; K. A. Peterson, D. E. Wood and T. H. Dunning, Jr., J. Chem. Phys., 1994, 100, 7410.
- (1992) J. Chem. Phys. , vol.96 , pp. 6796
- Kendall, R.A.¹ Dunning T.H., Jr.² Harrison, R.J.³

56
- 0010408411
- For other methods and basis sets employed: LANL2DZ: P. J. Hay and W. R. Wadt, J. Chem. Phys., 1985, 82, 270; W. R. Wadt and P. J. Hay, J. Chem. Phys., 1985, 82, 284; P. J. Hay and W. R. Wadt, J. Chem. Phys., 1985, 82, 299; 6-31G: R. Ditchfield, W. J. Hehre and J. A. Pople, J. Chem. Phys., 1971, 54, 724; W. J. Hehre, R. Ditchfield and J. A. Pople, J. Chem. Phys., 1972, 56, 2257; P. C. Hariharan and J. A. Pople, Mol. Phys., 1974, 27, 209; M. S. Gordon, Chem. Phys. Lett., 1980, 76, 209; P. C. Hariharan and J. A. Pople, Theor. Chim. Acta, 1974, 28, 213; 6-311G: A. D. McLean and G. S. Chandler, J. Chem. Phys., 1980, 72, 5639; R. Krishnan, J. S. Binkley, R. Seeger and J. A. Pople, J. Chem. Phys., 1980, 72, 650; ++: T. Clark, J. Chandrasekhar, G. W. Spitznagel and P. V. R. Schleyer, J. Comput. Chem., 1983, 4, 194; 3df,2p: M. J. Frish, J. A. Pople and J. S. Binkley, J. Chem. Phys., 1984, 80, 3265; cc-pVTZ: T. H. Dunning, Jr., J. Chem. Phys., 1989, 90, 1007; R. A. Kendall, T. H. Dunning, Jr. and R. J. Harrison, J. Chem. Phys., 1992, 96, 6796; K. A. Peterson, D. E. Wood and T. H. Dunning, Jr., J. Chem. Phys., 1994, 100, 7410.
- (1994) J. Chem. Phys. , vol.100 , pp. 7410
- Peterson, K.A.¹ Wood, D.E.² Dunning T.H., Jr.³

57
- 37049117326
- For examples: A. Kálmán, K. Sasvári and Á. Kucsman, J. Chem. Soc., Chem. Commun., 1971, 1447; A. Kálmán, K. Sasvári and Á. Kucsman, Acta Crystallogr., Sect. B, 1973, 29, 1241; A. F. Cameron, F. D. Duncanson and D. G. Morris, Acta Crystallogr., Sect. B, 1976, 32, 1998; A. Kálmán, T. Koritsánszky, I. Kapovits and Á. Kucsman, Acta Crystallogr., Sect. B, 1982, 38, 1843.
- (1971) J. Chem. Soc., Chem. Commun. , pp. 1447
- Kálmán, A.¹ Sasvári, K.² Kucsman, Á.³

58
- 4243219787
- For examples: A. Kálmán, K. Sasvári and Á. Kucsman, J. Chem. Soc., Chem. Commun., 1971, 1447; A. Kálmán, K. Sasvári and Á. Kucsman, Acta Crystallogr., Sect. B, 1973, 29, 1241; A. F. Cameron, F. D. Duncanson and D. G. Morris, Acta Crystallogr., Sect. B, 1976, 32, 1998; A. Kálmán, T. Koritsánszky, I. Kapovits and Á. Kucsman, Acta Crystallogr., Sect. B, 1982, 38, 1843.
- (1973) Acta Crystallogr., Sect. B , vol.29 , pp. 1241
- Kálmán, A.¹ Sasvári, K.² Kucsman, Á.³

59
- 26344446914
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.