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Volumn 110, Issue 9, 1999, Pages 4199-4207

A natural orbital diagnostic for multiconfigurational character in correlated wave functions

(6) Gordon, Mark S a Schmidt, Michael W a Chaban, Galina M a Glaesemann, Kurt R a Stevens, Walter J b Gonzalez, Carlos b

a IOWA STATE UNIVERSITY (United States)

b NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000728449 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.478301 Document Type: Article

Times cited : (98)

References (61)

1
- 0000541370
- M. W. Schmidt and M. S. Gordon, Annu. Rev. Phys. Chem. 49, 233 (1998).
- (1998) Annu. Rev. Phys. Chem. , vol.49 , pp. 233
- Schmidt, M.W.¹ Gordon, M.S.²

2
- 24544432103
- P.-O. Lowdin, Phys. Rev. 97, 1474 (1955); P.-O. Lowdin and H. Shull, ibid. 101, 1730 (1956)
- (1955) Phys. Rev. , vol.97 , pp. 1474
- Lowdin, P.-O.¹

3
- 36149007489
- P.-O. Lowdin, Phys. Rev. 97, 1474 (1955); P.-O. Lowdin and H. Shull, ibid. 101, 1730 (1956)
- (1956) Phys. Rev. , vol.101 , pp. 1730
- Lowdin, P.-O.¹ Shull, H.²

4
- 36549096996
- P. Pulay and T. P. Hamilton, J. Chem. Phys. 88, 4926 (1988); J. M. Bofill and P. J. Pulay, Chem. Phys. 89, 3637 (1989); K. Wolinski and P. Pulay, ibid. 90, 3647 (1989).
- (1988) J. Chem. Phys. , vol.88 , pp. 4926
- Pulay, P.¹ Hamilton, T.P.²

5
- 36549101345
- P. Pulay and T. P. Hamilton, J. Chem. Phys. 88, 4926 (1988); J. M. Bofill and P. J. Pulay, Chem. Phys. 89, 3637 (1989); K. Wolinski and P. Pulay, ibid. 90, 3647 (1989).
- (1989) Chem. Phys. , vol.89 , pp. 3637
- Bofill, J.M.¹ Pulay, P.J.²

6
- 0042625222
- P. Pulay and T. P. Hamilton, J. Chem. Phys. 88, 4926 (1988); J. M. Bofill and P. J. Pulay, Chem. Phys. 89, 3637 (1989); K. Wolinski and P. Pulay, ibid. 90, 3647 (1989).
- (1989) Chem. Phys. , vol.90 , pp. 3647
- Wolinski, K.¹ Pulay, P.²

7
- 36749120696
- R. Seeger and J. A. Pople, J. Chem. Phys. 66, 3045 (1977).
- (1977) J. Chem. Phys. , vol.66 , pp. 3045
- Seeger, R.¹ Pople, J.A.²

8
- 84990713479
- (a) T. J. Lee and P. R. Taylor, Int. J. Quantum Chem., Symp. 23, 199 (1989);
- (1989) Int. J. Quantum Chem., Symp. , vol.23 , pp. 199
- Lee, T.J.¹ Taylor, P.R.²

9
- 0013288257
- (b) T. J. Lee, M. Head-Gordon, and A. P. Rendell, Chem. Phys. Lett. 243, 402 (1995);
- (1995) Chem. Phys. Lett. , vol.243 , pp. 402
- Lee, T.J.¹ Head-Gordon, M.² Rendell, A.P.³

10
- 0001203828
- (c) C. L. Janssen and I. M. B. Nielsen, ibid. 290, 423 (1998);
- (1998) Chem. Phys. Lett. , vol.290 , pp. 423
- Janssen, C.L.¹ Nielsen, I.M.B.²

11
- 0001072384
- (d) for an alternative approach based on double excitation amplitudes, see J. D. Watts, M. Urban, and R. J. Bartlett, Theor. Chim. Acta 90, 341 (1995).
- (1995) Theor. Chim. Acta , vol.90 , pp. 341
- Watts, J.D.¹ Urban, M.² Bartlett, R.J.³

12
- 0003552289
- Deuticke, Leipzig
- H. Hellmann, Einführung in die Quantechemie (Deuticke, Leipzig 1937); R. P. Feynman, Phys. Rev. 41, 721 (1939).
- (1937) Einführung in die Quantechemie
- Hellmann, H.¹

13
- 0043236951
- H. Hellmann, Einführung in die Quantechemie (Deuticke, Leipzig 1937); R. P. Feynman, Phys. Rev. 41, 721 (1939).
- (1939) Phys. Rev. , vol.41 , pp. 721
- Feynman, R.P.¹

14
- 84984038295
- K. Raghavachari and J. A. Pople, Int. J. Quantum Chem. XX, 1067 (1981); G. H. F. Diercksen, B. O. Roos, and A. J Sadlej, Chem. Phys. 59, 29 (1981); J. E. Rice and R. D. Amos, Chem. Phys. Lett. 122, 583 (1985); K. B. Wiberg, C. M. Hadad, T. J. LePage, C. M. Breneman, and M. J. Frisch, J. Phys. Chem. 96, 671 (1992).
- (1981) Int. J. Quantum Chem. , vol.20 , pp. 1067
- Raghavachari, K.¹ Pople, J.A.²

15
- 3343023986
- K. Raghavachari and J. A. Pople, Int. J. Quantum Chem. XX, 1067 (1981); G. H. F. Diercksen, B. O. Roos, and A. J Sadlej, Chem. Phys. 59, 29 (1981); J. E. Rice and R. D. Amos, Chem. Phys. Lett. 122, 583 (1985); K. B. Wiberg, C. M. Hadad, T. J. LePage, C. M. Breneman, and M. J. Frisch, J. Phys. Chem. 96, 671 (1992).
- (1981) Chem. Phys. , vol.59 , pp. 29
- Diercksen, G.H.F.¹ Roos, B.O.² Sadlej, A.J.³

16
- 84984038295
- K. Raghavachari and J. A. Pople, Int. J. Quantum Chem. XX, 1067 (1981); G. H. F. Diercksen, B. O. Roos, and A. J Sadlej, Chem. Phys. 59, 29 (1981); J. E. Rice and R. D. Amos, Chem. Phys. Lett. 122, 583 (1985); K. B. Wiberg, C. M. Hadad, T. J. LePage, C. M. Breneman, and M. J. Frisch, J. Phys. Chem. 96, 671 (1992).
- (1985) Chem. Phys. Lett. , vol.122 , pp. 583
- Rice, J.E.¹ Amos, R.D.²

17
- 0000793016
- K. Raghavachari and J. A. Pople, Int. J. Quantum Chem. XX, 1067 (1981); G. H. F. Diercksen, B. O. Roos, and A. J Sadlej, Chem. Phys. 59, 29 (1981); J. E. Rice and R. D. Amos, Chem. Phys. Lett. 122, 583 (1985); K. B. Wiberg, C. M. Hadad, T. J. LePage, C. M. Breneman, and M. J. Frisch, J. Phys. Chem. 96, 671 (1992).
- (1992) J. Phys. Chem. , vol.96 , pp. 671
- Wiberg, K.B.¹ Hadad, C.M.² LePage, T.J.³ Breneman, C.M.⁴ Frisch, M.J.⁵

18
- 0010563054
- A. P. L. Rendell, G. B. Backskay, N. S. Hush, and N. C. Handy, J. Chem. Phys. 87, 5976 (1987).
- (1987) J. Chem. Phys. , vol.87 , pp. 5976
- Rendell, A.P.L.¹ Backskay, G.B.² Hush, N.S.³ Handy, N.C.⁴

19
- 84987138324
- edited by J. L. Calais, O. Goscinski, J. Linderberg, and Y. Ohrn (Plenum, New York)
- K. Ruedenberg and K. R. Sundberg, in Quantum Science, edited by J. L. Calais, O. Goscinski, J. Linderberg, and Y. Ohrn (Plenum, New York), p. 505; L. M. Cheung, K. R. Sundberg, and K. Ruedenberg, Int. J. Quantum Chem. 16, 1103 (1979).
- Quantum Science , pp. 505
- Ruedenberg, K.¹ Sundberg, K.R.²

20
- 84987138324
- K. Ruedenberg and K. R. Sundberg, in Quantum Science, edited by J. L. Calais, O. Goscinski, J. Linderberg, and Y. Ohrn (Plenum, New York), p. 505; L. M. Cheung, K. R. Sundberg, and K. Ruedenberg, Int. J. Quantum Chem. 16, 1103 (1979).
- (1979) Int. J. Quantum Chem. , vol.16 , pp. 1103
- Cheung, L.M.¹ Sundberg, K.R.² Ruedenberg, K.³

21
- 84957154356
- P. E. Siegbahn, A. Heiberg, B. O. Roos, and B. Levy, Phys. Scr. 21, 323 (1980); B. O. Roos, P. R. Taylor, and P. E. Siegbahn, Chem. Phys. 48, 157 (1980); B. O. Roos, Int. J. Quantum Chem. S14, 175 (1980).
- (1980) Phys. Scr. , vol.21 , pp. 323
- Siegbahn, P.E.¹ Heiberg, A.² Roos, B.O.³ Levy, B.⁴

22
- 0001177596
- P. E. Siegbahn, A. Heiberg, B. O. Roos, and B. Levy, Phys. Scr. 21, 323 (1980); B. O. Roos, P. R. Taylor, and P. E. Siegbahn, Chem. Phys. 48, 157 (1980); B. O. Roos, Int. J. Quantum Chem. S14, 175 (1980).
- (1980) Chem. Phys. , vol.48 , pp. 157
- Roos, B.O.¹ Taylor, P.R.² Siegbahn, P.E.³

23
- 84987063842
- P. E. Siegbahn, A. Heiberg, B. O. Roos, and B. Levy, Phys. Scr. 21, 323 (1980); B. O. Roos, P. R. Taylor, and P. E. Siegbahn, Chem. Phys. 48, 157 (1980); B. O. Roos, Int. J. Quantum Chem. S14, 175 (1980).
- (1980) Int. J. Quantum Chem. , vol.S14 , pp. 175
- Roos, B.O.¹

24
- 0013004607
- K. Andersson, P.-A Malmqvist, and B. O. Roos, J. Chem. Phys. 94, 5483 (1990); K. Andersson, P.-A. Malmqvist, and B. O. Roos, J. Chem. Phys. 96, 1218 (1992).
- (1990) J. Chem. Phys. , vol.94 , pp. 5483
- Andersson, K.¹ Malmqvist, P.-A.² Roos, B.O.³

25
- 36448998619
- K. Andersson, P.-A Malmqvist, and B. O. Roos, J. Chem. Phys. 94, 5483 (1990); K. Andersson, P.-A. Malmqvist, and B. O. Roos, J. Chem. Phys. 96, 1218 (1992).
- (1992) J. Chem. Phys. , vol.96 , pp. 1218
- Andersson, K.¹ Malmqvist, P.-A.² Roos, B.O.³

26
- 0002362917
- J. A. Pople, R. Seeger, and R. Krishnan, Int. J. Quantum Chem. S11, 149 (1979).
- (1979) Int. J. Quantum Chem. , vol.S11 , pp. 149
- Pople, J.A.¹ Seeger, R.² Krishnan, R.³

27
- 0001626413
- R. J. Bartlett, Annu. Rev. Phys. Chem. 32, 359 (1981).
- (1981) Annu. Rev. Phys. Chem. , vol.32 , pp. 359
- Bartlett, R.J.¹

28
- 0000738543
- edited by G. Mali Plenum, New York
- J. Paldus, in Relativistic and Electron Correlation Effects in Molecules and Solids, edited by G. Mali (Plenum, New York, 1994), p. 207; R. D. Bartlett, in Modern Electronic Structure Theory. I, edited by D. R. Yarkony (World Scientific, Singapore, 1995), p. 1047.
- (1994) Relativistic and Electron Correlation Effects in Molecules and Solids , pp. 207
- Paldus, J.¹

29
- 0001039562
- edited by D. R. Yarkony World Scientific, Singapore
- J. Paldus, in Relativistic and Electron Correlation Effects in Molecules and Solids, edited by G. Mali (Plenum, New York, 1994), p. 207; R. D. Bartlett, in Modern Electronic Structure Theory. I, edited by D. R. Yarkony (World Scientific, Singapore, 1995), p. 1047.
- (1995) Modern Electronic Structure Theory. i , pp. 1047
- Bartlett, R.D.¹

30
- 84893169025
- M. W. Schmidt, K. K. Baldridge, J. A. Boatz, S. T. Elbert, M. S. Gordon, J. H. Jensen, K. Koseki, N. Matsunaga, K. A. Nguyen, S. Su, T. L. Windus, M. Dupuis, and J. A. Montgomery, Jr., J. Comput. Chem. 14, 1347 (1993).
- (1993) J. Comput. Chem. , vol.14 , pp. 1347
- Schmidt, M.W.¹ Baldridge, K.K.² Boatz, J.A.³ Elbert, S.T.⁴ Gordon, M.S.⁵ Jensen, J.H.⁶ Koseki, K.⁷ Matsunaga, N.⁸ Nguyen, K.A.⁹ Su, S.¹⁰ Windus, T.L.¹¹ Dupuis, M.¹² Montgomery J.A., Jr.¹³

31
- 0004245508
- University of Sussex
- MOLPRO: H.-J. Werner and P. J. Knowles, University of Sussex, 1991; H.-J. Werner and P. J. Knowles, J. Chem. Phys. 82, 5053 (1985); P. J. Knowles and H.-J. Werner, Chem. Phys. Lett. 115, 259 (1985).
- (1991) Molpro
- Werner, H.-J.¹ Knowles, P.J.²

32
- 0037780883
- MOLPRO: H.-J. Werner and P. J. Knowles, University of Sussex, 1991; H.-J. Werner and P. J. Knowles, J. Chem. Phys. 82, 5053 (1985); P. J. Knowles and H.-J. Werner, Chem. Phys. Lett. 115, 259 (1985).
- (1985) J. Chem. Phys. , vol.82 , pp. 5053
- Werner, H.-J.¹ Knowles, P.J.²

33
- 5944242677
- MOLPRO: H.-J. Werner and P. J. Knowles, University of Sussex, 1991; H.-J. Werner and P. J. Knowles, J. Chem. Phys. 82, 5053 (1985); P. J. Knowles and H.-J. Werner, Chem. Phys. Lett. 115, 259 (1985).
- (1985) Chem. Phys. Lett. , vol.115 , pp. 259
- Knowles, P.J.¹ Werner, H.-J.²

34
- 73549095444
- J. Almlof, P. R. Taylor
- ACES II is a program product of the Quantum Theory Project, University of Florida. Authors: J. F. Stanton, J. Gauss, J. D. Watts, M. Nooijen, N. Oliphant, S. A. Perera, P. G. Szalay, W. J. Lauderdale, S. R. Gwaltney, S. Beck, A. Balkova, D. E. Bernholdt, K.-K. Baeck, P. Rozyczko, H. Sekino, C. Huber, and R. J. Bartlett, Integral packages: VMOL (J. Almlof, P. R. Taylor); VPROPS (P. R. Taylor); ABACUS (T. Helgaker, H. J. Aa Jensen, P. Jorgensen, J. Olsen, and P. R. Taylor).
- Integral Packages: Vmol
- Stanton, J.F.¹ Gauss, J.² Watts, J.D.³ Nooijen, M.⁴ Oliphant, N.⁵ Perera, S.A.⁶ Szalay, P.G.⁷ Lauderdale, W.J.⁸ Gwaltney, S.R.⁹ Beck, S.¹⁰ Balkova, A.¹¹ Bernholdt, D.E.¹² Baeck, K.-K.¹³ Rozyczko, P.¹⁴ Sekino, H.¹⁵ Huber, C.¹⁶ Bartlett, R.J.¹⁷

35
- 85034536623
- ACES II is a program product of the Quantum Theory Project, University of Florida. Authors: J. F. Stanton, J. Gauss, J. D. Watts, M. Nooijen, N. Oliphant, S. A. Perera, P. G. Szalay, W. J. Lauderdale, S. R. Gwaltney, S. Beck, A. Balkova, D. E. Bernholdt, K.-K. Baeck, P. Rozyczko, H. Sekino, C. Huber, and R. J. Bartlett, Integral packages: VMOL (J. Almlof, P. R. Taylor); VPROPS (P. R. Taylor); ABACUS (T. Helgaker, H. J. Aa Jensen, P. Jorgensen, J. Olsen, and P. R. Taylor).
- Vprops
- Taylor, P.R.¹

36
- 84971502714
- ACES II is a program product of the Quantum Theory Project, University of Florida. Authors: J. F. Stanton, J. Gauss, J. D. Watts, M. Nooijen, N. Oliphant, S. A. Perera, P. G. Szalay, W. J. Lauderdale, S. R. Gwaltney, S. Beck, A. Balkova, D. E. Bernholdt, K.-K. Baeck, P. Rozyczko, H. Sekino, C. Huber, and R. J. Bartlett, Integral packages: VMOL (J. Almlof, P. R. Taylor); VPROPS (P. R. Taylor); ABACUS (T. Helgaker, H. J. Aa Jensen, P. Jorgensen, J. Olsen, and P. R. Taylor).
- Abacus
- Helgaker, T.¹ Aa Jensen, H.J.² Jorgensen, P.³ Olsen, J.⁴ Taylor, P.R.⁵

37
- 84884501597
- Gaussian, Inc., Pittsburgh, PA
- M. J. Frisch, G. W. Trucks, M. Head-Gordon, P. M. W. Gill, M. W. Wong, J. B. Foresman, B. G. Johnson, H. B. Schlegel, M. A. Robb, E. S. Replogle, R. Gomperts, J. L. Andres, K. Raghavachari, J. S. Binkley, C. Gonzalez, R. L. Martin, D. J. Fox, D. J. Defrees, J. Baker, J. J. P. Stewart, and J. A. Pople, GAUSSIAN 92, Revision A, Gaussian, Inc., Pittsburgh, PA, 1992.
- (1992) Gaussian 92, Revision A
- Frisch, M.J.¹ Trucks, G.W.² Head-Gordon, M.³ Gill, P.M.W.⁴ Wong, M.W.⁵ Foresman, J.B.⁶ Johnson, B.G.⁷ Schlegel, H.B.⁸ Robb, M.A.⁹ Replogle, E.S.¹⁰ Gomperts, R.¹¹ Andres, J.L.¹² Raghavachari, K.¹³ Binkley, J.S.¹⁴ Gonzalez, C.¹⁵ Martin, R.L.¹⁶ Fox, D.J.¹⁷ Defrees, D.J.¹⁸ Baker, J.¹⁹ Stewart, J.J.P.²⁰ Pople, J.A.²¹ more..

38
- 33746614482
- T. H. Dunning, Jr., J. Chem. Phys. 90, 1007 (1989); R. A. Kendall, T. H. Dunning, Jr., and R. J. Harrison, ibid. 96, 6796 (1992); D. E. Woon and T. H. Dunning, Jr., ibid. 98, 1358 (1993).
- (1989) J. Chem. Phys. , vol.90 , pp. 1007
- Dunning T.H., Jr.¹

39
- 4143095330
- T. H. Dunning, Jr., J. Chem. Phys. 90, 1007 (1989); R. A. Kendall, T. H. Dunning, Jr., and R. J. Harrison, ibid. 96, 6796 (1992); D. E. Woon and T. H. Dunning, Jr., ibid. 98, 1358 (1993).
- (1992) J. Chem. Phys. , vol.96 , pp. 6796
- Kendall, R.A.¹ Dunning T.H., Jr.² Harrison, R.J.³

40
- 3843146349
- T. H. Dunning, Jr., J. Chem. Phys. 90, 1007 (1989); R. A. Kendall, T. H. Dunning, Jr., and R. J. Harrison, ibid. 96, 6796 (1992); D. E. Woon and T. H. Dunning, Jr., ibid. 98, 1358 (1993).
- (1993) J. Chem. Phys. , vol.98 , pp. 1358
- Woon, D.E.¹ Dunning T.H., Jr.²

41
- 0003468774
- McGraw-Hill, New York
- A. Szabo and N. S. Ostlund, Modern Quantum Chemistry (McGraw-Hill, New York, 1982).
- (1982) Modern Quantum Chemistry
- Szabo, A.¹ Ostlund, N.S.²

42
- 0032557323
- J. Finley, P.-A. Malmqvist, B. O. Roos, and L. Serrano-Andres, Chem. Phys. Lett. 288, 299 (1998).
- (1998) Chem. Phys. Lett. , vol.288 , pp. 299
- Finley, J.¹ Malmqvist, P.-A.² Roos, B.O.³ Serrano-Andres, L.⁴

43
- 0031206457
- N. Forsberg and P.-A. Malmqvist, Chem. Phys. Lett. 274, 196 (1997).
- (1997) Chem. Phys. Lett. , vol.274 , pp. 196
- Forsberg, N.¹ Malmqvist, P.-A.²

44
- 0001523580
- B. O. Roos, K. Andersson, M. P. Fulshcher, L. Serrano-Andres, K. Pierloot, M. Merchan, and V. Molina, THEOCHEM 388, 257 (1996).
- (1996) Theochem , vol.388 , pp. 257
- Roos, B.O.¹ Andersson, K.² Fulshcher, M.P.³ Serrano-Andres, L.⁴ Pierloot, K.⁵ Merchan, M.⁶ Molina, V.⁷

45
- 49149090180
- B. O. Roos, K. Andersson, M. P. Fulshcher, L. Serrano-Andres, K. Pierloot, M. Merchan, Adv. Chem. Phys. 93, 219 (1996).
- (1996) Adv. Chem. Phys. , vol.93 , pp. 219
- Roos, B.O.¹ Andersson, K.² Fulshcher, M.P.³ Serrano-Andres, L.⁴ Pierloot, K.⁵ Merchan, M.⁶

46
- 0000152249
- B. O. Roos and K. Andersson, Chem. Phys. Lett. 245, 215 (1995).
- (1995) Chem. Phys. Lett. , vol.245 , pp. 215
- Roos, B.O.¹ Andersson, K.²

47
- 33645912838
- K. Andersson, B. O. Roos, P.-A. Malmqvist, and P. O. Widmark, Chem. Phys. Lett. 230, 391 (1994).
- (1994) Chem. Phys. Lett. , vol.230 , pp. 391
- Andersson, K.¹ Roos, B.O.² Malmqvist, P.-A.³ Widmark, P.O.⁴

48
- 0013004607
- K. Andersson, P.-A. Malmqvist, B. O. Roos, A. J. Sadley, and K. Wolinski, J. Phys. Chem. 94, 5483 (1990).
- (1990) J. Phys. Chem. , vol.94 , pp. 5483
- Andersson, K.¹ Malmqvist, P.-A.² Roos, B.O.³ Sadley, A.J.⁴ Wolinski, K.⁵

49
- 0042625222
- K. Wolinski and P. Pulay, J. Chem. Phys. 90, 3647 (1989).
- (1989) J. Chem. Phys. , vol.90 , pp. 3647
- Wolinski, K.¹ Pulay, P.²

50
- 0001049403
- K. Wolinski, H. L. Sellers, and P. Pulay, Chem. Phys. Lett. 140, 225 (1987).
- (1987) Chem. Phys. Lett. , vol.140 , pp. 225
- Wolinski, K.¹ Sellers, H.L.² Pulay, P.³

51
- 0000076779
- B. O. Roos, P. Linse, P. E. M. Siegbahn, and M. R. A. Blomberg, Chem. Phys. 66, 197 (1982).
- (1982) Chem. Phys. , vol.66 , pp. 197
- Roos, B.O.¹ Linse, P.² Siegbahn, P.E.M.³ Blomberg, M.R.A.⁴

52
- 0001031742
- H.-J. Werner, Mol. Phys. 89, 645 (1996).
- (1996) Mol. Phys. , vol.89 , pp. 645
- Werner, H.-J.¹

53
- 33745044263
- H. Nakano, J. Chem. Phys. 99, 7983 (1993); Chem. Phys. Lett. 207, 372 (1993).
- (1993) J. Chem. Phys. , vol.99 , pp. 7983
- Nakano, H.¹

54
- 24444441064
- H. Nakano, J. Chem. Phys. 99, 7983 (1993); Chem. Phys. Lett. 207, 372 (1993).
- (1993) Chem. Phys. Lett. , vol.207 , pp. 372

55
- 0001818327
- K. Andersson, Theor. Chim, Acta 91, 31 (1995).
- (1995) Theor. Chim, Acta , vol.91 , pp. 31
- Andersson, K.¹

56
- 0031452399
- M. S. Gordon, T. J. Barton, and H. Nakano, J. Am. Chem. Soc. 119, 11966 (1997).
- (1997) J. Am. Chem. Soc. , vol.119 , pp. 11966
- Gordon, M.S.¹ Barton, T.J.² Nakano, H.³

57
- 0347170005
- W. J. Hehre, R. Ditchfield, and J. A. Pople, J. Chem. Phys. 56, 2257 (1972); M. M. Francl, W. J. Pietro, W. J. Hehre, J. S. Binkley, M. S. Gordon, D. J. Defrees, and J. A. Pople, ibid. 77, 3654 (1982).
- (1972) J. Chem. Phys. , vol.56 , pp. 2257
- Hehre, W.J.¹ Ditchfield, R.² Pople, J.A.³

58
- 33645949559
- W. J. Hehre, R. Ditchfield, and J. A. Pople, J. Chem. Phys. 56, 2257 (1972); M. M. Francl, W. J. Pietro, W. J. Hehre, J. S. Binkley, M. S. Gordon, D. J. Defrees, and J. A. Pople, ibid. 77, 3654 (1982).
- (1982) J. Chem. Phys. , vol.77 , pp. 3654
- Francl, M.M.¹ Pietro, W.J.² Hehre, W.J.³ Binkley, J.S.⁴ Gordon, M.S.⁵ Defrees, D.J.⁶ Pople, J.A.⁷

59
- 7044269886
- M. W. Schmidt, K. A. Nguyen, M. S. Gordon, and J. A. Montgomery, Jr., J. Am. Chem. Soc. 113, 5998 (1991).
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 5998
- Schmidt, M.W.¹ Nguyen, K.A.² Gordon, M.S.³ Montgomery J.A., Jr.⁴

60
- 0000744190
- T. L. Windus and M. S. Gordon, J. Am. Chem. Soc. 114, 9559 (1992).
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 9559
- Windus, T.L.¹ Gordon, M.S.²

61
- 0000119421
- J. Olsen, O. Christiansen, H. Koch, and P. J. Jorgensen, J. Chem. Phys. 105, 5082 (1996).
- (1996) J. Chem. Phys. , vol.105 , pp. 5082
- Olsen, J.¹ Christiansen, O.² Koch, H.³ Jorgensen, P.J.⁴

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.