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International Journal of Quantum Chemistry

Volumn 70, Issue 6, 1998, Pages 1159-1168

Studies on the hydrogenation steps of the nitrogen molecule at the Azotobacter vinelandii nitrogenase site

(2) Stavrev, Krassimir K a,b Zerner, Michael C c

a Hypercube Inc (United States)

b UNIVERSITY OF FLORIDA COLLEGE OF MEDICINE (United States)

c UNIVERSITY OF FLORIDA (United States)

Author keywords

DFT; INDO; Nitrogen fixation; Nitrogenase; PM3tm

Indexed keywords

EID: 0001313303 PISSN: 00207608 EISSN: None Source Type: Journal
DOI: 10.1002/(sici)1097-461x(1998)70:6<1159::aid-qua5>3.0.co;2-z Document Type: Article

Times cited : (46)

References (53)

1
- 0010431740
- H. Hellriegel, Z. Ver. Rübenzuckerind. D. Reiches 36, 863 (1886); H. Hellriegel and H. Willfarth, Beilageheft Z. Ver. Rübenzuckerind. D. Reiches (1888).
- (1886) Z. Ver. Rübenzuckerind. D. Reiches , vol.36 , pp. 863
- Hellriegel, H.¹

2
- 3342891949
- H. Hellriegel, Z. Ver. Rübenzuckerind. D. Reiches 36, 863 (1886); H. Hellriegel and H. Willfarth, Beilageheft Z. Ver. Rübenzuckerind. D. Reiches (1888).
- (1888) Beilageheft Z. Ver. Rübenzuckerind. D. Reiches
- Hellriegel, H.¹ Willfarth, H.²

3
- 0027159222
- M. K. Chan, J. Kim, and D. C Rees, Science 260, 792 (1993); see also, J. B. Howard and D. C. Rees, Chem. Rev. 96, 2965 (1996); J. T. Bolin, N. Campobasso, S. T. Muchmore, T. V. Morgan, and L. E. Mortenson, in Molybdenum Enzymes, Cofactors, and Model Systems, E. I. Stiefel, D. Coucouvanis, and W. E. Newton, Eds. (American Chemical Society, Washington DC, 1993), p. 186, and references therein.
- (1993) Science , vol.260 , pp. 792
- Chan, M.K.¹ Kim, J.² Rees, D.C.³

4
- 7744224797
- M. K. Chan, J. Kim, and D. C Rees, Science 260, 792 (1993); see also, J. B. Howard and D. C. Rees, Chem. Rev. 96, 2965 (1996); J. T. Bolin, N. Campobasso, S. T. Muchmore, T. V. Morgan, and L. E. Mortenson, in Molybdenum Enzymes, Cofactors, and Model Systems, E. I. Stiefel, D. Coucouvanis, and W. E. Newton, Eds. (American Chemical Society, Washington DC, 1993), p. 186, and references therein.
- (1996) Chem. Rev. , vol.96 , pp. 2965
- Howard, J.B.¹ Rees, D.C.²

5
- 0027159222
- E. I. Stiefel, D. Coucouvanis, and W. E. Newton, Eds. American Chemical Society, Washington DC, and references therein
- M. K. Chan, J. Kim, and D. C Rees, Science 260, 792 (1993); see also, J. B. Howard and D. C. Rees, Chem. Rev. 96, 2965 (1996); J. T. Bolin, N. Campobasso, S. T. Muchmore, T. V. Morgan, and L. E. Mortenson, in Molybdenum Enzymes, Cofactors, and Model Systems, E. I. Stiefel, D. Coucouvanis, and W. E. Newton, Eds. (American Chemical Society, Washington DC, 1993), p. 186, and references therein.
- (1993) Molybdenum Enzymes, Cofactors, and Model Systems , pp. 186
- Bolin, J.T.¹ Campobasso, N.² Muchmore, S.T.³ Morgan, T.V.⁴ Mortenson, L.E.⁵

6
- 3343007770
- R. R. Eady and G. J. Leigh J. Chem. Soc. Dalton Trans., 2379 (1994); R. R. Eady, Chem. Rev. 96, 3013 (1996).
- (1994) J. Chem. Soc. Dalton Trans. , pp. 2379
- Eady, R.R.¹ Leigh, G.J.²

7
- 0001219252
- R. R. Eady and G. J. Leigh J. Chem. Soc. Dalton Trans., 2379 (1994); R. R. Eady, Chem. Rev. 96, 3013 (1996).
- (1996) Chem. Rev. , vol.96 , pp. 3013
- Eady, R.R.¹

8
- 33748674109
- D. Sellmann, Angew. Chem. Int. Ed. Engl. 32, 64 (1993); B. K. Burgess and J. L. Lowe, Chem. Rev. 96, 2983 (1996); B. K. Burgess, Chem. Rev. 90, 1377 (1990); for overviews, see E. I. Stiefel and G. N. George, in Bioinorganic Chemistry, I. Bertini, H. B. Gray, S. J. Lippard, and J. S. Valentine, Eds. (University Science, Mill Valley, CA, 1994), and G. J. Leigh, Science 268, 827 (1995); Ibid., 275, 1442 (1997).
- (1993) Angew. Chem. Int. Ed. Engl. , vol.32 , pp. 64
- Sellmann, D.¹

9
- 0000703950
- D. Sellmann, Angew. Chem. Int. Ed. Engl. 32, 64 (1993); B. K. Burgess and J. L. Lowe, Chem. Rev. 96, 2983 (1996); B. K. Burgess, Chem. Rev. 90, 1377 (1990); for overviews, see E. I. Stiefel and G. N. George, in Bioinorganic Chemistry, I. Bertini, H. B. Gray, S. J. Lippard, and J. S. Valentine, Eds. (University Science, Mill Valley, CA, 1994), and G. J. Leigh, Science 268, 827 (1995); Ibid., 275, 1442 (1997).
- (1996) Chem. Rev. , vol.96 , pp. 2983
- Burgess, B.K.¹ Lowe, J.L.²

10
- 0000530315
- D. Sellmann, Angew. Chem. Int. Ed. Engl. 32, 64 (1993); B. K. Burgess and J. L. Lowe, Chem. Rev. 96, 2983 (1996); B. K. Burgess, Chem. Rev. 90, 1377 (1990); for overviews, see E. I. Stiefel and G. N. George, in Bioinorganic Chemistry, I. Bertini, H. B. Gray, S. J. Lippard, and J. S. Valentine, Eds. (University Science, Mill Valley, CA, 1994), and G. J. Leigh, Science 268, 827 (1995); Ibid., 275, 1442 (1997).
- (1990) Chem. Rev. , vol.90 , pp. 1377
- Burgess, B.K.¹

11
- 33748674109
- I. Bertini, H. B. Gray, S. J. Lippard, and J. S. Valentine, Eds. University Science, Mill Valley, CA
- D. Sellmann, Angew. Chem. Int. Ed. Engl. 32, 64 (1993); B. K. Burgess and J. L. Lowe, Chem. Rev. 96, 2983 (1996); B. K. Burgess, Chem. Rev. 90, 1377 (1990); for overviews, see E. I. Stiefel and G. N. George, in Bioinorganic Chemistry, I. Bertini, H. B. Gray, S. J. Lippard, and J. S. Valentine, Eds. (University Science, Mill Valley, CA, 1994), and G. J. Leigh, Science 268, 827 (1995); Ibid., 275, 1442 (1997).
- (1994) Bioinorganic Chemistry
- Stiefel, E.I.¹ George, G.N.²

12
- 0029014449
- D. Sellmann, Angew. Chem. Int. Ed. Engl. 32, 64 (1993); B. K. Burgess and J. L. Lowe, Chem. Rev. 96, 2983 (1996); B. K. Burgess, Chem. Rev. 90, 1377 (1990); for overviews, see E. I. Stiefel and G. N. George, in Bioinorganic Chemistry, I. Bertini, H. B. Gray, S. J. Lippard, and J. S. Valentine, Eds. (University Science, Mill Valley, CA, 1994), and G. J. Leigh, Science 268, 827 (1995); Ibid., 275, 1442 (1997).
- (1995) Science , vol.268 , pp. 827
- Leigh, G.J.¹

13
- 0031046776
- D. Sellmann, Angew. Chem. Int. Ed. Engl. 32, 64 (1993); B. K. Burgess and J. L. Lowe, Chem. Rev. 96, 2983 (1996); B. K. Burgess, Chem. Rev. 90, 1377 (1990); for overviews, see E. I. Stiefel and G. N. George, in Bioinorganic Chemistry, I. Bertini, H. B. Gray, S. J. Lippard, and J. S. Valentine, Eds. (University Science, Mill Valley, CA, 1994), and G. J. Leigh, Science 268, 827 (1995); Ibid., 275, 1442 (1997).
- (1997) Science , vol.275 , pp. 1442

14
- 33750497852
- H. Deng and R. Hoffmann, Angew. Chem. Int. Ed. Engl. 32, 1062 (1993).
- (1993) Angew. Chem. Int. Ed. Engl. , vol.32 , pp. 1062
- Deng, H.¹ Hoffmann, R.²

15
- 0001507257
- I. G. Dance, Aust. J. Chem. 47, 979 (1994).
- (1994) Aust. J. Chem. , vol.47 , pp. 979
- Dance, I.G.¹

16
- 0001160806
- F. B. C. Machado and E. R. Davidson, Theor. Chim. Acta 92, 315 (1995).
- (1995) Theor. Chim. Acta , vol.92 , pp. 315
- Machado, F.B.C.¹ Davidson, E.R.²

17
- 0002506534
- K. K. Stavrev and M. C. Zerner, Chem. Eur. J. 2, 83 (1996).
- (1996) Chem. Eur. J. , vol.2 , pp. 83
- Stavrev, K.K.¹ Zerner, M.C.²

18
- 0031533745
- K. K. Stavrev and M. C. Zerner, Theor. Chim. Acta 96(3), 141 (1997).
- (1997) Theor. Chim. Acta , vol.96 , Issue.3 , pp. 141
- Stavrev, K.K.¹ Zerner, M.C.²

19
- 0028870599
- J. Christiansen, R. C. Tittsworth, B. J. Hales, and S. P. Cramer, J. Am. Chem. Soc. 117, 10017 (1995).
- (1995) J. Am. Chem. Soc. , vol.117 , pp. 10017
- Christiansen, J.¹ Tittsworth, R.C.² Hales, B.J.³ Cramer, S.P.⁴

20
- 0004299462
- Quantum Theory Project, University of Florida, Gainesville, Florida
- M. Zerner, ZINDO program package, Quantum Theory Project, University of Florida, Gainesville, Florida; see also, M. C. Zerner, G. H. Loew, R. Kirchner, and U. Müller-West-erhoff, J. Am. Chem. Soc. 102, 589 (1980); J. E. Ridley and M. C. Zerner, Theor. Chim. Acta 32, 118 (1973); A. D. Bacon and M. C. Zerner, Theor. Chim. Acta 53, 21 (1979).
- ZINDO Program Package
- Zerner, M.¹

21
- 33847086509
- M. Zerner, ZINDO program package, Quantum Theory Project, University of Florida, Gainesville, Florida; see also, M. C. Zerner, G. H. Loew, R. Kirchner, and U. Müller-West-erhoff, J. Am. Chem. Soc. 102, 589 (1980); J. E. Ridley and M. C. Zerner, Theor. Chim. Acta 32, 118 (1973); A. D. Bacon and M. C. Zerner, Theor. Chim. Acta 53, 21 (1979).
- (1980) J. Am. Chem. Soc. , vol.102 , pp. 589
- Zerner, M.C.¹ Loew, G.H.² Kirchner, R.³ Müller-West-erhoff, U.⁴

22
- 0011528129
- M. Zerner, ZINDO program package, Quantum Theory Project, University of Florida, Gainesville, Florida; see also, M. C. Zerner, G. H. Loew, R. Kirchner, and U. Müller-West-erhoff, J. Am. Chem. Soc. 102, 589 (1980); J. E. Ridley and M. C. Zerner, Theor. Chim. Acta 32, 118 (1973); A. D. Bacon and M. C. Zerner, Theor. Chim. Acta 53, 21 (1979).
- (1973) Theor. Chim. Acta , vol.32 , pp. 118
- Ridley, J.E.¹ Zerner, M.C.²

23
- 0002269160
- M. Zerner, ZINDO program package, Quantum Theory Project, University of Florida, Gainesville, Florida; see also, M. C. Zerner, G. H. Loew, R. Kirchner, and U. Müller-West-erhoff, J. Am. Chem. Soc. 102, 589 (1980); J. E. Ridley and M. C. Zerner, Theor. Chim. Acta 32, 118 (1973); A. D. Bacon and M. C. Zerner, Theor. Chim. Acta 53, 21 (1979).
- (1979) Theor. Chim. Acta , vol.53 , pp. 21
- Bacon, A.D.¹ Zerner, M.C.²

24
- 0004101311
- D. Salahub and M. Zerner, Eds., ACS Series 394
- A. D. Becke, in The Challenge of d-and f-Electrons, D. Salahub and M. Zerner, Eds., ACS Series 394, 1989; C. Lee, W. Yang, R. G. Parr, Phys. Rev. 37, 785 (1988); for a comparison of different functionals, see P. J. Stephen, F. J. Devlin, C. S. Ashvar, K. L. Bak, P. R. Taylor, and M. Frisch, in Chemical Applications of Density Functional Theory, B. Laird, R. B. Ross, T. Ziegler, Eds., ACS Series 629, 1996.
- (1989) The Challenge of D- and F- Electrons
- Becke, A.D.¹

25
- 0345491105
- A. D. Becke, in The Challenge of d-and f-Electrons, D. Salahub and M. Zerner, Eds., ACS Series 394, 1989; C. Lee, W. Yang, R. G. Parr, Phys. Rev. 37, 785 (1988); for a comparison of different functionals, see P. J. Stephen, F. J. Devlin, C. S. Ashvar, K. L. Bak, P. R. Taylor, and M. Frisch, in Chemical Applications of Density Functional Theory, B. Laird, R. B. Ross, T. Ziegler, Eds., ACS Series 629, 1996.
- (1988) Phys. Rev. , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

26
- 0003849456
- B. Laird, R. B. Ross, T. Ziegler, Eds., ACS Series 629
- A. D. Becke, in The Challenge of d-and f-Electrons, D. Salahub and M. Zerner, Eds., ACS Series 394, 1989; C. Lee, W. Yang, R. G. Parr, Phys. Rev. 37, 785 (1988); for a comparison of different functionals, see P. J. Stephen, F. J. Devlin, C. S. Ashvar, K. L. Bak, P. R. Taylor, and M. Frisch, in Chemical Applications of Density Functional Theory, B. Laird, R. B. Ross, T. Ziegler, Eds., ACS Series 629, 1996.
- (1996) Chemical Applications of Density Functional Theory
- Stephen, P.J.¹ Devlin, F.J.² Ashvar, C.S.³ Bak, K.L.⁴ Taylor, P.R.⁵ Frisch, M.⁶

27
- 3343018049
- Turbomole 95.0/3.0.0, InsightII, MSI/Biosym, San Diego, CA, 1997
- Turbomole 95.0/3.0.0, InsightII, MSI/Biosym, San Diego, CA, 1997.

28
- 0003951086
- Wiley, New York
- A comprehensive review on the Thorneley-Lowe scheme is given in Molybdenum Enzymes, T. Sprio, Ed. (Wiley, New York, 1985); see also R. N. F. Thorneley, G. A. Ashby, K. Fisher, and D. J. Lowe, in Molybdenum Enzymes, Cofactors, and Model Systems, E. I. Stiefel, D. Coucouvanis, and W. E. Newton, Eds. (American Chemical Society, Washington DC, 1993), p. 290, and references therein.
- (1985) Molybdenum Enzymes
- Sprio, T.¹

29
- 0003659037
- E. I. Stiefel, D. Coucouvanis, and W. E. Newton, Eds. American Chemical Society, Washington DC, and references therein
- A comprehensive review on the Thorneley-Lowe scheme is given in Molybdenum Enzymes, T. Sprio, Ed. (Wiley, New York, 1985); see also R. N. F. Thorneley, G. A. Ashby, K. Fisher, and D. J. Lowe, in Molybdenum Enzymes, Cofactors, and Model Systems, E. I. Stiefel, D. Coucouvanis, and W. E. Newton, Eds. (American Chemical Society, Washington DC, 1993), p. 290, and references therein.
- (1993) Molybdenum Enzymes, Cofactors, and Model Systems , pp. 290
- Thorneley, R.N.F.¹ Ashby, G.A.² Fisher, K.³ Lowe, D.J.⁴

30
- 0000436750
- M. D. Demadis, S. M. Malinak, and D. Coucouvanis, Inorg. Chem. 35, 4038 (1996); S. M. Malinak, A. M. Simeonov, P. E. Mosier, C. E. McKenna, and D. Coucouvanis, J. Am. Chem. Soc. 119, 1662 (1997).
- (1996) Inorg. Chem. , vol.35 , pp. 4038
- Demadis, M.D.¹ Malinak, S.M.² Coucouvanis, D.³

31
- 0030909004
- M. D. Demadis, S. M. Malinak, and D. Coucouvanis, Inorg. Chem. 35, 4038 (1996); S. M. Malinak, A. M. Simeonov, P. E. Mosier, C. E. McKenna, and D. Coucouvanis, J. Am. Chem. Soc. 119, 1662 (1997).
- (1997) J. Am. Chem. Soc. , vol.119 , pp. 1662
- Malinak, S.M.¹ Simeonov, A.M.² Mosier, P.E.³ McKenna, C.E.⁴ Coucouvanis, D.⁵

32
- 0008816799
- E. I. Stiefel, D. Coucouvanis, and W. E. Newton, Eds. American Chemical Society, Washington DC
- W. H. Orme-Johnson, in Molybdenum Enzymes Cofactors, and Model Systems, E. I. Stiefel, D. Coucouvanis, and W. E. Newton, Eds. (American Chemical Society, Washington DC, 1993), p. 257.
- (1993) Molybdenum Enzymes Cofactors, and Model Systems , pp. 257
- Orme-Johnson, W.H.¹

33
- 0000375956
- D. Sellmann and J. Sutter, J. Biol. Inorg. Chem. 1, 587 (1996).
- (1996) J. Biol. Inorg. Chem. , vol.1 , pp. 587
- Sellmann, D.¹ Sutter, J.²

34
- 0027518193
- B. Shen, L. L. Martin, J. N. Butt, F. A. Armstrong, C. D. Stout, G. M. Jensen, P. L. Stephens, G. N. LaMar, C. M. Gorst, and B. K. Burgess, J. Biol. Chem. 268, 25928 (1993).
- (1993) J. Biol. Chem. , vol.268 , pp. 25928
- Shen, B.¹ Martin, L.L.² Butt, J.N.³ Armstrong, F.A.⁴ Stout, C.D.⁵ Jensen, G.M.⁶ Stephens, P.L.⁷ Lamar, G.N.⁸ Gorst, C.M.⁹ Burgess, B.K.¹⁰

35
- 0000019492
- See W. D. Edwards and M. C. Zerner, Theor. Chim. Acta 72 347 (1987); M. C. Zerner, Int. J. Quant. Chem. 35, 567 (1989).
- (1987) Theor. Chim. Acta , vol.72 , pp. 347
- Edwards, W.D.¹ Zerner, M.C.²

36
- 84990658534
- See W. D. Edwards and M. C. Zerner, Theor. Chim. Acta 72 347 (1987); M. C. Zerner, Int. J. Quant. Chem. 35, 567 (1989).
- (1989) Int. J. Quant. Chem. , vol.35 , pp. 567
- Zerner, M.C.¹

37
- 58149323130
- K. K. Stavrev and M. C. Zerner, Chem. Phys. Lett. 233, 179 (1995); K. K. Stavrev and M C. Zerner, J. Chem. Phys. 102, 34 (1995); K. K. Stavrev, M. C. Zerner, and T. J. Meyer, J. Am. Chem. Soc. 117, 8684 (1995); K. K. Stavrev and M. C. Zerner, Int. J. Quant. Chem.: Quant. Biol. Symp. 22, 155 (1995); K. K. Stavrev and M. C. Zerner, Chem. Phys. Lett. 263, 667 (1996); M. G. Cory, K. K. Stavrev, and M. C. Zerner, Int. J. Quant. Chem. 63, 781 (1997).
- (1995) Chem. Phys. Lett. , vol.233 , pp. 179
- Stavrev, K.K.¹ Zerner, M.C.²

38
- 0002658157
- K. K. Stavrev and M. C. Zerner, Chem. Phys. Lett. 233, 179 (1995); K. K. Stavrev and M C. Zerner, J. Chem. Phys. 102, 34 (1995); K. K. Stavrev, M. C. Zerner, and T. J. Meyer, J. Am. Chem. Soc. 117, 8684 (1995); K. K. Stavrev and M. C. Zerner, Int. J. Quant. Chem.: Quant. Biol. Symp. 22, 155 (1995); K. K. Stavrev and M. C. Zerner, Chem. Phys. Lett. 263, 667 (1996); M. G. Cory, K. K. Stavrev, and M. C. Zerner, Int. J. Quant. Chem. 63, 781 (1997).
- (1995) J. Chem. Phys. , vol.102 , pp. 34
- Stavrev, K.K.¹ Zerner, M.C.²

39
- 17344372213
- K. K. Stavrev and M. C. Zerner, Chem. Phys. Lett. 233, 179 (1995); K. K. Stavrev and M C. Zerner, J. Chem. Phys. 102, 34 (1995); K. K. Stavrev, M. C. Zerner, and T. J. Meyer, J. Am. Chem. Soc. 117, 8684 (1995); K. K. Stavrev and M. C. Zerner, Int. J. Quant. Chem.: Quant. Biol. Symp. 22, 155 (1995); K. K. Stavrev and M. C. Zerner, Chem. Phys. Lett. 263, 667 (1996); M. G. Cory, K. K. Stavrev, and M. C. Zerner, Int. J. Quant. Chem. 63, 781 (1997).
- (1995) J. Am. Chem. Soc. , vol.117 , pp. 8684
- Stavrev, K.K.¹ Zerner, M.C.² Meyer, T.J.³

40
- 84981625755
- K. K. Stavrev and M. C. Zerner, Chem. Phys. Lett. 233, 179 (1995); K. K. Stavrev and M C. Zerner, J. Chem. Phys. 102, 34 (1995); K. K. Stavrev, M. C. Zerner, and T. J. Meyer, J. Am. Chem. Soc. 117, 8684 (1995); K. K. Stavrev and M. C. Zerner, Int. J. Quant. Chem.: Quant. Biol. Symp. 22, 155 (1995); K. K. Stavrev and M. C. Zerner, Chem. Phys. Lett. 263, 667 (1996); M. G. Cory, K. K. Stavrev, and M. C. Zerner, Int. J. Quant. Chem. 63, 781 (1997).
- (1995) Int. J. Quant. Chem.: Quant. Biol. Symp. , vol.22 , pp. 155
- Stavrev, K.K.¹ Zerner, M.C.²

41
- 0030596228
- K. K. Stavrev and M. C. Zerner, Chem. Phys. Lett. 233, 179 (1995); K. K. Stavrev and M C. Zerner, J. Chem. Phys. 102, 34 (1995); K. K. Stavrev, M. C. Zerner, and T. J. Meyer, J. Am. Chem. Soc. 117, 8684 (1995); K. K. Stavrev and M. C. Zerner, Int. J. Quant. Chem.: Quant. Biol. Symp. 22, 155 (1995); K. K. Stavrev and M. C. Zerner, Chem. Phys. Lett. 263, 667 (1996); M. G. Cory, K. K. Stavrev, and M. C. Zerner, Int. J. Quant. Chem. 63, 781 (1997).
- (1996) Chem. Phys. Lett. , vol.263 , pp. 667
- Stavrev, K.K.¹ Zerner, M.C.²

42
- 0001122724
- K. K. Stavrev and M. C. Zerner, Chem. Phys. Lett. 233, 179 (1995); K. K. Stavrev and M C. Zerner, J. Chem. Phys. 102, 34 (1995); K. K. Stavrev, M. C. Zerner, and T. J. Meyer, J. Am. Chem. Soc. 117, 8684 (1995); K. K. Stavrev and M. C. Zerner, Int. J. Quant. Chem.: Quant. Biol. Symp. 22, 155 (1995); K. K. Stavrev and M. C. Zerner, Chem. Phys. Lett. 263, 667 (1996); M. G. Cory, K. K. Stavrev, and M. C. Zerner, Int. J. Quant. Chem. 63, 781 (1997).
- (1997) Int. J. Quant. Chem. , vol.63 , pp. 781
- Cory, M.G.¹ Stavrev, K.K.² Zerner, M.C.³

43
- 2642541467
- M. M. Karelson and M. C. Zerner, J. Phys. Chem. 96, 6949 (1992); for comparisons between models of solvation, see also K. K. Stavrev, T. Tamm, and M. C. Zerner, Int. J. Quant. Chem. 60, 1585 (1996).
- (1992) J. Phys. Chem. , vol.96 , pp. 6949
- Karelson, M.M.¹ Zerner, M.C.²

44
- 84961981812
- M. M. Karelson and M. C. Zerner, J. Phys. Chem. 96, 6949 (1992); for comparisons between models of solvation, see also K. K. Stavrev, T. Tamm, and M. C. Zerner, Int. J. Quant. Chem. 60, 1585 (1996).
- (1996) Int. J. Quant. Chem. , vol.60 , pp. 1585
- Stavrev, K.K.¹ Tamm, T.² Zerner, M.C.³

45
- 3342964890
- T. Yamabe, K. Hori, and K. Fukui, Inorg. Chem. 21, 2816 (1982). P. S. Wagenknecht and J. R. Norton, J. Am. Chem. Soc. 117, 1841 (1995); M. Hidai and Y. Mizobe, Coord. Chem. Rev. 95, 1115 (1995).
- (1982) Inorg. Chem. , vol.21 , pp. 2816
- Yamabe, T.¹ Hori, K.² Fukui, K.³

46
- 0348221323
- T. Yamabe, K. Hori, and K. Fukui, Inorg. Chem. 21, 2816 (1982). P. S. Wagenknecht and J. R. Norton, J. Am. Chem. Soc. 117, 1841 (1995); M. Hidai and Y. Mizobe, Coord. Chem. Rev. 95, 1115 (1995).
- (1995) J. Am. Chem. Soc. , vol.117 , pp. 1841
- Wagenknecht, P.S.¹ Norton, J.R.²

47
- 3342952653
- T. Yamabe, K. Hori, and K. Fukui, Inorg. Chem. 21, 2816 (1982). P. S. Wagenknecht and J. R. Norton, J. Am. Chem. Soc. 117, 1841 (1995); M. Hidai and Y. Mizobe, Coord. Chem. Rev. 95, 1115 (1995).
- (1995) Coord. Chem. Rev. , vol.95 , pp. 1115
- Hidai, M.¹ Mizobe, Y.²

48
- 3342994025
- I. G. Dance, Chem. Commun. 165 (1997); Y. G. Abashkin, S. K. Burt, J. R. Collins, R. E. Cachau, N. Russo, and J. W. Erickson, in Metal-Ligand Interactions, N. Russo and D. Salahub, Eds. (Kluwer Academic, 1996), p. 1; see also, Chemical Applications of Density Functional Theory, B. Laird, R. B. Ross, T. Ziegler, Eds., ACS Series 629, American Chemical Society, Washington, D.C, 1996; for limitations of density functional theory in hydrogenation reactions, see also M. T. Nguen, S. Creve, and L. G. Vanquickenborne, J. Phys. Chem. 100, 18422 (1996).
- (1997) Chem. Commun. , vol.165
- Dance, I.G.¹

49
- 0345858957
- N. Russo and D. Salahub, Eds. Kluwer Academic
- I. G. Dance, Chem. Commun. 165 (1997); Y. G. Abashkin, S. K. Burt, J. R. Collins, R. E. Cachau, N. Russo, and J. W. Erickson, in Metal-Ligand Interactions, N. Russo and D. Salahub, Eds. (Kluwer Academic, 1996), p. 1; see also, Chemical Applications of Density Functional Theory, B. Laird, R. B. Ross, T. Ziegler, Eds., ACS Series 629, American Chemical Society, Washington, D.C, 1996; for limitations of density functional theory in hydrogenation reactions, see also M. T. Nguen, S. Creve, and L. G. Vanquickenborne, J. Phys. Chem. 100, 18422 (1996).
- (1996) Metal-Ligand Interactions , pp. 1
- Abashkin, Y.G.¹ Burt, S.K.² Collins, J.R.³ Cachau, R.E.⁴ Russo, N.⁵ Erickson, J.W.⁶

50
- 0003849456
- ACS Series 629, American Chemical Society, Washington, D.C
- I. G. Dance, Chem. Commun. 165 (1997); Y. G. Abashkin, S. K. Burt, J. R. Collins, R. E. Cachau, N. Russo, and J. W. Erickson, in Metal-Ligand Interactions, N. Russo and D. Salahub, Eds. (Kluwer Academic, 1996), p. 1; see also, Chemical Applications of Density Functional Theory, B. Laird, R. B. Ross, T. Ziegler, Eds., ACS Series 629, American Chemical Society, Washington, D.C, 1996; for limitations of density functional theory in hydrogenation reactions, see also M. T. Nguen, S. Creve, and L. G. Vanquickenborne, J. Phys. Chem. 100, 18422 (1996).
- (1996) Chemical Applications of Density Functional Theory
- Laird, B.¹ Ross, R.B.² Ziegler, T.³

51
- 33748583177
- I. G. Dance, Chem. Commun. 165 (1997); Y. G. Abashkin, S. K. Burt, J. R. Collins, R. E. Cachau, N. Russo, and J. W. Erickson, in Metal-Ligand Interactions, N. Russo and D. Salahub, Eds. (Kluwer Academic, 1996), p. 1; see also, Chemical Applications of Density Functional Theory, B. Laird, R. B. Ross, T. Ziegler, Eds., ACS Series 629, American Chemical Society, Washington, D.C, 1996; for limitations of density functional theory in hydrogenation reactions, see also M. T. Nguen, S. Creve, and L. G. Vanquickenborne, J. Phys. Chem. 100, 18422 (1996).
- (1996) J. Phys. Chem. , vol.100 , pp. 18422
- Nguen, M.T.¹ Creve, S.² Vanquickenborne, L.G.³

52
- 0001118184
- L. Banci, I. Bertini, G. G. Svellini, and C. Luchinat, Inorg. Chem. 35, 4248 (1996); see also T. Simonson and C. L. Brooks III, J. Am. Chem. Soc. 118, 8452 (1996).
- (1996) Inorg. Chem. , vol.35 , pp. 4248
- Banci, L.¹ Bertini, I.² Svellini, G.G.³ Luchinat, C.⁴

53
- 0029833446
- L. Banci, I. Bertini, G. G. Svellini, and C. Luchinat, Inorg. Chem. 35, 4248 (1996); see also T. Simonson and C. L. Brooks III, J. Am. Chem. Soc. 118, 8452 (1996).
- (1996) J. Am. Chem. Soc. , vol.118 , pp. 8452
- Simonson, T.¹ Brooks III, C.L.²

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