메뉴 건너뛰기




Volumn 113, Issue 4, 2000, Pages 1372-1379

On non-negativity of Fukui function indices. II

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ATOMS; ELECTRONS; FINITE DIFFERENCE METHOD; PROBLEM SOLVING;

EID: 0034228318     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.481927     Document Type: Article
Times cited : (129)

References (55)
  • 8
    • 0040467756 scopus 로고
    • F. De Proft, W. Langenaeker, and P. Geerlings, J. Phys. Chem. 97, 1826 (1993); W. Langenaeker, N. Coussement, F. De Proft, and P. Geerlings, ibid. 98, 3010 (1994); F. De Proft, S. Amira, K. Choho, and P. Geerlings, ibid. 98, 5227 (1994); W. Langenaeker, K. Demel, and P. Geerlings, J. Mol. Struct.: THEOCHEM 259, 317 (1992); 234, 329 (1991); A. Baeten, F. De Proft, W. Langenaeker, and P. Geerlings, ibid. 306, 203 (1994); A. K. Chandra, P. Geerlings, and M. T. Nguyen, J. Org. Chem. 62, 6417 (1997); D. Sengupta, A. K. Chandra, and M. T. Nguyen, ibid. 62, 6404 (1997).
    • (1993) J. Phys. Chem. , vol.97 , pp. 1826
    • De Proft, F.1    Langenaeker, W.2    Geerlings, P.3
  • 9
    • 0001607783 scopus 로고
    • F. De Proft, W. Langenaeker, and P. Geerlings, J. Phys. Chem. 97, 1826 (1993); W. Langenaeker, N. Coussement, F. De Proft, and P. Geerlings, ibid. 98, 3010 (1994); F. De Proft, S. Amira, K. Choho, and P. Geerlings, ibid. 98, 5227 (1994); W. Langenaeker, K. Demel, and P. Geerlings, J. Mol. Struct.: THEOCHEM 259, 317 (1992); 234, 329 (1991); A. Baeten, F. De Proft, W. Langenaeker, and P. Geerlings, ibid. 306, 203 (1994); A. K. Chandra, P. Geerlings, and M. T. Nguyen, J. Org. Chem. 62, 6417 (1997); D. Sengupta, A. K. Chandra, and M. T. Nguyen, ibid. 62, 6404 (1997).
    • (1994) J. Phys. Chem. , vol.98 , pp. 3010
    • Langenaeker, W.1    Coussement, N.2    De Proft, F.3    Geerlings, P.4
  • 10
    • 33751158806 scopus 로고
    • F. De Proft, W. Langenaeker, and P. Geerlings, J. Phys. Chem. 97, 1826 (1993); W. Langenaeker, N. Coussement, F. De Proft, and P. Geerlings, ibid. 98, 3010 (1994); F. De Proft, S. Amira, K. Choho, and P. Geerlings, ibid. 98, 5227 (1994); W. Langenaeker, K. Demel, and P. Geerlings, J. Mol. Struct.: THEOCHEM 259, 317 (1992); 234, 329 (1991); A. Baeten, F. De Proft, W. Langenaeker, and P. Geerlings, ibid. 306, 203 (1994); A. K. Chandra, P. Geerlings, and M. T. Nguyen, J. Org. Chem. 62, 6417 (1997); D. Sengupta, A. K. Chandra, and M. T. Nguyen, ibid. 62, 6404 (1997).
    • (1994) J. Phys. Chem. , vol.98 , pp. 5227
    • De Proft, F.1    Amira, S.2    Choho, K.3    Geerlings, P.4
  • 11
    • 0001704477 scopus 로고
    • F. De Proft, W. Langenaeker, and P. Geerlings, J. Phys. Chem. 97, 1826 (1993); W. Langenaeker, N. Coussement, F. De Proft, and P. Geerlings, ibid. 98, 3010 (1994); F. De Proft, S. Amira, K. Choho, and P. Geerlings, ibid. 98, 5227 (1994); W. Langenaeker, K. Demel, and P. Geerlings, J. Mol. Struct.: THEOCHEM 259, 317 (1992); 234, 329 (1991); A. Baeten, F. De Proft, W. Langenaeker, and P. Geerlings, ibid. 306, 203 (1994); A. K. Chandra, P. Geerlings, and M. T. Nguyen, J. Org. Chem. 62, 6417 (1997); D. Sengupta, A. K. Chandra, and M. T. Nguyen, ibid. 62, 6404 (1997).
    • (1992) J. Mol. Struct.: THEOCHEM , vol.259 , pp. 317
    • Langenaeker, W.1    Demel, K.2    Geerlings, P.3
  • 12
    • 0007019352 scopus 로고
    • F. De Proft, W. Langenaeker, and P. Geerlings, J. Phys. Chem. 97, 1826 (1993); W. Langenaeker, N. Coussement, F. De Proft, and P. Geerlings, ibid. 98, 3010 (1994); F. De Proft, S. Amira, K. Choho, and P. Geerlings, ibid. 98, 5227 (1994); W. Langenaeker, K. Demel, and P. Geerlings, J. Mol. Struct.: THEOCHEM 259, 317 (1992); 234, 329 (1991); A. Baeten, F. De Proft, W. Langenaeker, and P. Geerlings, ibid. 306, 203 (1994); A. K. Chandra, P. Geerlings, and M. T. Nguyen, J. Org. Chem. 62, 6417 (1997); D. Sengupta, A. K. Chandra, and M. T. Nguyen, ibid. 62, 6404 (1997).
    • (1991) J. Mol. Struct.: THEOCHEM , vol.234 , pp. 329
  • 13
    • 0010134739 scopus 로고
    • F. De Proft, W. Langenaeker, and P. Geerlings, J. Phys. Chem. 97, 1826 (1993); W. Langenaeker, N. Coussement, F. De Proft, and P. Geerlings, ibid. 98, 3010 (1994); F. De Proft, S. Amira, K. Choho, and P. Geerlings, ibid. 98, 5227 (1994); W. Langenaeker, K. Demel, and P. Geerlings, J. Mol. Struct.: THEOCHEM 259, 317 (1992); 234, 329 (1991); A. Baeten, F. De Proft, W. Langenaeker, and P. Geerlings, ibid. 306, 203 (1994); A. K. Chandra, P. Geerlings, and M. T. Nguyen, J. Org. Chem. 62, 6417 (1997); D. Sengupta, A. K. Chandra, and M. T. Nguyen, ibid. 62, 6404 (1997).
    • (1994) J. Mol. Struct.: THEOCHEM , vol.306 , pp. 203
    • Baeten, A.1    De Proft, F.2    Langenaeker, W.3    Geerlings, P.4
  • 14
    • 0001108887 scopus 로고    scopus 로고
    • F. De Proft, W. Langenaeker, and P. Geerlings, J. Phys. Chem. 97, 1826 (1993); W. Langenaeker, N. Coussement, F. De Proft, and P. Geerlings, ibid. 98, 3010 (1994); F. De Proft, S. Amira, K. Choho, and P. Geerlings, ibid. 98, 5227 (1994); W. Langenaeker, K. Demel, and P. Geerlings, J. Mol. Struct.: THEOCHEM 259, 317 (1992); 234, 329 (1991); A. Baeten, F. De Proft, W. Langenaeker, and P. Geerlings, ibid. 306, 203 (1994); A. K. Chandra, P. Geerlings, and M. T. Nguyen, J. Org. Chem. 62, 6417 (1997); D. Sengupta, A. K. Chandra, and M. T. Nguyen, ibid. 62, 6404 (1997).
    • (1997) J. Org. Chem. , vol.62 , pp. 6417
    • Chandra, A.K.1    Geerlings, P.2    Nguyen, M.T.3
  • 15
    • 0000873289 scopus 로고    scopus 로고
    • F. De Proft, W. Langenaeker, and P. Geerlings, J. Phys. Chem. 97, 1826 (1993); W. Langenaeker, N. Coussement, F. De Proft, and P. Geerlings, ibid. 98, 3010 (1994); F. De Proft, S. Amira, K. Choho, and P. Geerlings, ibid. 98, 5227 (1994); W. Langenaeker, K. Demel, and P. Geerlings, J. Mol. Struct.: THEOCHEM 259, 317 (1992); 234, 329 (1991); A. Baeten, F. De Proft, W. Langenaeker, and P. Geerlings, ibid. 306, 203 (1994); A. K. Chandra, P. Geerlings, and M. T. Nguyen, J. Org. Chem. 62, 6417 (1997); D. Sengupta, A. K. Chandra, and M. T. Nguyen, ibid. 62, 6404 (1997).
    • (1997) J. Org. Chem. , vol.62 , pp. 6404
    • Sengupta, D.1    Chandra, A.K.2    Nguyen, M.T.3
  • 19
  • 22
  • 23
    • 33751386777 scopus 로고
    • Springer, Berlin
    • L. Komorowski, J. Lipinski, and M. J. Pyka, J. Phys. Chem. 97, 3166 (1993); L. Komorowski, in Structure and Bonding (Springer, Berlin, 1993), Vol. 80, pp. 46-70.
    • (1993) Structure and Bonding , vol.80 , pp. 46-70
    • Komorowski, L.1
  • 39
    • 33744614883 scopus 로고
    • J. P. Foster and F. Weinhold, J. Am. Chem. Soc. 102, 7211 (1980); A. B. Rives and F. Weinhold, Int. J. Quantum Chem., Symp. 14, 201 (1980); A. E. Reed and F. Weinhold, J. Chem. Phys. 78, 4066 (1983); A. E. Reed, R. B. Weinstock, and F. Weinhold, ibid. 83, 735 (1985).
    • (1980) J. Am. Chem. Soc. , vol.102 , pp. 7211
    • Foster, J.P.1    Weinhold, F.2
  • 40
    • 84987069005 scopus 로고
    • J. P. Foster and F. Weinhold, J. Am. Chem. Soc. 102, 7211 (1980); A. B. Rives and F. Weinhold, Int. J. Quantum Chem., Symp. 14, 201 (1980); A. E. Reed and F. Weinhold, J. Chem. Phys. 78, 4066 (1983); A. E. Reed, R. B. Weinstock, and F. Weinhold, ibid. 83, 735 (1985).
    • (1980) Int. J. Quantum Chem., Symp. , vol.14 , pp. 201
    • Rives, A.B.1    Weinhold, F.2
  • 41
    • 36749116113 scopus 로고
    • J. P. Foster and F. Weinhold, J. Am. Chem. Soc. 102, 7211 (1980); A. B. Rives and F. Weinhold, Int. J. Quantum Chem., Symp. 14, 201 (1980); A. E. Reed and F. Weinhold, J. Chem. Phys. 78, 4066 (1983); A. E. Reed, R. B. Weinstock, and F. Weinhold, ibid. 83, 735 (1985).
    • (1983) J. Chem. Phys. , vol.78 , pp. 4066
    • Reed, A.E.1    Weinhold, F.2
  • 42
    • 36148995600 scopus 로고
    • J. P. Foster and F. Weinhold, J. Am. Chem. Soc. 102, 7211 (1980); A. B. Rives and F. Weinhold, Int. J. Quantum Chem., Symp. 14, 201 (1980); A. E. Reed and F. Weinhold, J. Chem. Phys. 78, 4066 (1983); A. E. Reed, R. B. Weinstock, and F. Weinhold, ibid. 83, 735 (1985).
    • (1985) J. Chem. Phys. , vol.83 , pp. 735
    • Reed, A.E.1    Weinstock, R.B.2    Weinhold, F.3
  • 46
    • 0000812163 scopus 로고
    • P. C. Hariharan and J. A. Pople, Mol. Phys. 27, 209 (1974); M. S. Gordon, Chem. Phys. Lett. 76, 163 (1980); P. C. Hariharan and J. A. Pople, Theor. Chim. Acta 28, 213 (1973).
    • (1974) Mol. Phys. , vol.27 , pp. 209
    • Hariharan, P.C.1    Pople, J.A.2
  • 47
    • 85022583881 scopus 로고
    • P. C. Hariharan and J. A. Pople, Mol. Phys. 27, 209 (1974); M. S. Gordon, Chem. Phys. Lett. 76, 163 (1980); P. C. Hariharan and J. A. Pople, Theor. Chim. Acta 28, 213 (1973).
    • (1980) Chem. Phys. Lett. , vol.76 , pp. 163
    • Gordon, M.S.1
  • 48
    • 33748545144 scopus 로고
    • P. C. Hariharan and J. A. Pople, Mol. Phys. 27, 209 (1974); M. S. Gordon, Chem. Phys. Lett. 76, 163 (1980); P. C. Hariharan and J. A. Pople, Theor. Chim. Acta 28, 213 (1973).
    • (1973) Theor. Chim. Acta , vol.28 , pp. 213
    • Hariharan, P.C.1    Pople, J.A.2
  • 51
    • 0007116761 scopus 로고    scopus 로고
    • Molecular Simulations Inc., San Diego
    • 3, Version 970818, Molecular Simulations Inc., San Diego, 1997.
    • (1997) 3, Version 970818
  • 53
    • 84893169025 scopus 로고    scopus 로고
    • Department of Chemistry, North Dakota State University and Ames Laboratory, Iowa State University
    • GAMESS, General Atomic and Molecular Electronic Structure System, Department of Chemistry, North Dakota State University and Ames Laboratory, Iowa State University, 1999; M. W. Schmidt, K. K. Baldridge, J. A. Boatz, S. T. Elbert, M. S. Gordon, J. H. Jensen, S. Koseki, N. Matsunga, K. A. Nguyen, S. J. Su, T. L. Windus, M. Dupuis, and J. A. Montgomery, J. Comput. Chem. 14, 1347 (1993).
    • (1999) GAMESS, General Atomic and Molecular Electronic Structure System
  • 55
    • 0004171225 scopus 로고    scopus 로고
    • Molecular Simulations Inc., San Diego
    • CERIUS 2, Version 3.0, Molecular Simulations Inc., San Diego, 1997.
    • (1997) CERIUS 2, Version 3.0


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.