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Advances in Inorganic Chemistry

Volumn 62, Issue C, 2010, Pages 1-39

Molecular mechanics for transition metal centers. From coordination complexes to metalloproteins

(1) Deeth, Robert J a

a UNIVERSITY OF WARWICK (United Kingdom)

Author keywords

Copper enzymes; Jahn Teller effect; Ligand field theory; Molecular mechanics; Spin states

Indexed keywords

EID: 77957367133 PISSN: 08988838 EISSN: None Source Type: Book Series
DOI: 10.1016/S0898-8838(10)62001-6 Document Type: Book

Times cited : (7)

References (78)

1
- 21944447170
- Ziegler T., Autschbach J. Chem. Rev. 2005, 105:2695-2722.
- (2005) Chem. Rev. , vol.105 , pp. 2695-2722
- Ziegler, T.¹ Autschbach, J.²

2
- 34047177090
- Kirchner B., Wennmohs F., Ye S.F., Neese F. Curr. Opin. Chem. Biol. 2007, 11:134-141.
- (2007) Curr. Opin. Chem. Biol. , vol.11 , pp. 134-141
- Kirchner, B.¹ Wennmohs, F.² Ye, S.F.³ Neese, F.⁴

3
- 0001363007
- Siegbahn P.E.M., Blomberg M.R.A. Chem. Rev. 2000, 100:421-437.
- (2000) Chem. Rev. , vol.100 , pp. 421-437
- Siegbahn, P.E.M.¹ Blomberg, M.R.A.²

4
- 0001337166
- Burton V.J., Deeth R.J., Kemp C.M., Gilbert P.J. J. Am. Chem. Soc. 1995, 117:8407-8415.
- (1995) J. Am. Chem. Soc. , vol.117 , pp. 8407-8415
- Burton, V.J.¹ Deeth, R.J.² Kemp, C.M.³ Gilbert, P.J.⁴

5
- 60649120008
- Deeth R.J., Anastasi A., Diedrich C., Randell K. Coord. Chem. Rev. 2009, 253:795-816.
- (2009) Coord. Chem. Rev. , vol.253 , pp. 795-816
- Deeth, R.J.¹ Anastasi, A.² Diedrich, C.³ Randell, K.⁴

6
- 33846570818
- Lin H., Truhlar D.G. Theor. Chem. Acc. 2007, 117:185-199.
- (2007) Theor. Chem. Acc. , vol.117 , pp. 185-199
- Lin, H.¹ Truhlar, D.G.²

7
- 0037571112
- Halgren T.A. J. Comput. Chem. 1996, 17:490-519.
- (1996) J. Comput. Chem. , vol.17 , pp. 490-519
- Halgren, T.A.¹

8
- 0011134241
- Halgren T.A. J. Comput. Chem. 1996, 17:520-552.
- (1996) J. Comput. Chem. , vol.17 , pp. 520-552
- Halgren, T.A.¹

9
- 0011143599
- Halgren T.A. J. Comput. Chem. 1996, 17:553-586.
- (1996) J. Comput. Chem. , vol.17 , pp. 553-586
- Halgren, T.A.¹

10
- 0001061464
- Halgren T.A., Nachbar R.B. J. Comput. Chem. 1996, 17:587-615.
- (1996) J. Comput. Chem. , vol.17 , pp. 587-615
- Halgren, T.A.¹ Nachbar, R.B.²

11
- 0042041206
- Rappe A.K., Casewit C.J., Colwell K.S., Goddard W.A., Skiff W.M. J. Am. Chem. Soc. 1992, 114:10024-10035.
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 10024-10035
- Rappe, A.K.¹ Casewit, C.J.² Colwell, K.S.³ Goddard, W.A.⁴ Skiff, W.M.⁵

12
- 0029633186
- Pearlman D.A., Case D.A., Caldwell J.W., Ross W.S., Cheatham T.E., Debolt S., Ferguson D., Seibel G., Kollman P. Comput. Phys. Commun. 1995, 91:1-41.
- (1995) Comput. Phys. Commun. , vol.91 , pp. 1-41
- Pearlman, D.A.¹ Case, D.A.² Caldwell, J.W.³ Ross, W.S.⁴ Cheatham, T.E.⁵ Debolt, S.⁶ Ferguson, D.⁷ Seibel, G.⁸ Kollman, P.⁹

13
- 84986512474
- Brooks B.R., Bruccoleri R.E., Olafson B.D., States D.J., Swaminathan S., Karplus M. J. Comput. Chem. 1983, 4:187-217.
- (1983) J. Comput. Chem. , vol.4 , pp. 187-217
- Brooks, B.R.¹ Bruccoleri, R.E.² Olafson, B.D.³ States, D.J.⁴ Swaminathan, S.⁵ Karplus, M.⁶

14
- 84954696353
- Allured V.S., Kelly C.M., Landis C.R. J. Am. Chem. Soc. 1991, 113:1-12.
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 1-12
- Allured, V.S.¹ Kelly, C.M.² Landis, C.R.³

15
- 0034961150
- Carlsson A.E., Zapata S. Biophys. J. 2001, 81:1-10.
- (2001) Biophys. J. , vol.81 , pp. 1-10
- Carlsson, A.E.¹ Zapata, S.²

16
- 0004149851
- Springer-Verlag, Berlin/Heidelberg/New York
- Kepert D.L. Inorganic Stereochemistry 1982, Springer-Verlag, Berlin/Heidelberg/New York.
- (1982) Inorganic Stereochemistry
- Kepert, D.L.¹

17
- 0003776657
- VCH, Weinheim
- Comba P., Hambley T.W. Molecular Modeling of Inorganic Compounds 1995, VCH, Weinheim.
- (1995) Molecular Modeling of Inorganic Compounds
- Comba, P.¹ Hambley, T.W.²

18
- 12344282163
- Deeth R.J., Fey N., Williams-Hubbard B.J. J. Comput. Chem. 2005, 26:123-130.
- (2005) J. Comput. Chem. , vol.26 , pp. 123-130
- Deeth, R.J.¹ Fey, N.² Williams-Hubbard, B.J.³

19
- 0007330427
- Johnson D.A., Nelson P.G. Inorg. Chem. 1995, 34:5666-5671.
- (1995) Inorg. Chem. , vol.34 , pp. 5666-5671
- Johnson, D.A.¹ Nelson, P.G.²

20
- 0003922821
- John Wiley and Sons Ltd., New York
- Figgis B.N., Hitchman M.A. Ligand Field Theory and Its Applications 2000, John Wiley and Sons Ltd., New York.
- (2000) Ligand Field Theory and Its Applications
- Figgis, B.N.¹ Hitchman, M.A.²

21
- 73349108490
- Anastasi A., Deeth R.J. J. Chem. Theory Comput. 2009, 5:2339-2352.
- (2009) J. Chem. Theory Comput. , vol.5 , pp. 2339-2352
- Anastasi, A.¹ Deeth, R.J.²

22
- 0000066552
- Cundari T.R., Fu W., Moody E.W., Slavin L.L., Snyder L.A., Sommerer S.O., Klinckman T.R. J. Phys. Chem. 1996, 100:18057-18064.
- (1996) J. Phys. Chem. , vol.100 , pp. 18057-18064
- Cundari, T.R.¹ Fu, W.² Moody, E.W.³ Slavin, L.L.⁴ Snyder, L.A.⁵ Sommerer, S.O.⁶ Klinckman, T.R.⁷

23
- 0003604064
- McGraw-Hill, New York
- Ballhausen C.J. Introduction to Ligand Field Theory 1962, McGraw-Hill, New York.
- (1962) Introduction to Ligand Field Theory
- Ballhausen, C.J.¹

24
- 0001411928
- Bethe H.A. Ann. Phys. 1929, 3:133.
- (1929) Ann. Phys. , vol.3 , pp. 133
- Bethe, H.A.¹

25
- 0000220382
- Gerloch M., Woolley R.G. Prog. Inorg. Chem. 1983, 31:371-446.
- (1983) Prog. Inorg. Chem. , vol.31 , pp. 371-446
- Gerloch, M.¹ Woolley, R.G.²

26
- 37049112316
- Gerloch M., Woolley R.G. J. Chem. Soc. Dalton Trans. 1981, 1714-1717.
- (1981) J. Chem. Soc. Dalton Trans. , pp. 1714-1717
- Gerloch, M.¹ Woolley, R.G.²

27
- 0000919042
- Bridgeman A.J., Gerloch M. Prog. Inorg. Chem. 1997, 45:179-281.
- (1997) Prog. Inorg. Chem. , vol.45 , pp. 179-281
- Bridgeman, A.J.¹ Gerloch, M.²

28
- 0035136601
- Deeth R.J. Coord. Chem. Rev. 2001, 212:11-34.
- (2001) Coord. Chem. Rev. , vol.212 , pp. 11-34
- Deeth, R.J.¹

29
- 84945603213
- Schaeffer C.E., Jorgensen C.K. Mol. Phys. 1965, 9:401.
- (1965) Mol. Phys. , vol.9 , pp. 401
- Schaeffer, C.E.¹ Jorgensen, C.K.²

30
- 0036384443
- Deeth R.J., Foulis D.L. Phys. Chem. Chem. Phys. 2002, 4:4292-4297.
- (2002) Phys. Chem. Chem. Phys. , vol.4 , pp. 4292-4297
- Deeth, R.J.¹ Foulis, D.L.²

31
- 0000696863
- Comba P., Hambley T.W., Hitchman M.A., Stratemeier H. Inorg. Chem. 1995, 34:3903-3911.
- (1995) Inorg. Chem. , vol.34 , pp. 3903-3911
- Comba, P.¹ Hambley, T.W.² Hitchman, M.A.³ Stratemeier, H.⁴

32
- 0001424433
- Deeth R.J., Gerloch M. Inorg. Chem. 1984, 23:3846-3853.
- (1984) Inorg. Chem. , vol.23 , pp. 3846-3853
- Deeth, R.J.¹ Gerloch, M.²

33
- 77952570264
- Deeth R.J., Anastasi A.E., Wilcockson M.J. J. Am. Chem. Soc. 2010, 132:6876-6877.
- (2010) J. Am. Chem. Soc. , vol.132 , pp. 6876-6877
- Deeth, R.J.¹ Anastasi, A.E.² Wilcockson, M.J.³

34
- 34447532605
- MOE, Montreal, Montreal, 2007
- Chemical Computing Group 2007, MOE, Montreal, Montreal, 2007.
- (2007) Chemical Computing Group

35
- 0142235983
- Deeth R.J. Faraday Discuss. 2003, 124:379-391.
- (2003) Faraday Discuss. , vol.124 , pp. 379-391
- Deeth, R.J.¹

36
- 32944482798
- Deeth R.J., Hearnshaw L.J.A. Dalton Trans. 2006, 1092-1100.
- (2006) Dalton Trans. , pp. 1092-1100
- Deeth, R.J.¹ Hearnshaw, L.J.A.²

37
- 34250724409
- Deeth R.J. Inorg. Chem. 2007, 46:4492-4503.
- (2007) Inorg. Chem. , vol.46 , pp. 4492-4503
- Deeth, R.J.¹

38
- 0035125739
- Norrby P.O., Brandt P. Coord. Chem. Rev. 2001, 212:79-109.
- (2001) Coord. Chem. Rev. , vol.212 , pp. 79-109
- Norrby, P.O.¹ Brandt, P.²

39
- 35348830385
- Dhungana S., Harrington J.M., Gebhardt P., Moellmann U., Crumbliss A.L. Inorg. Chem. 2007, 46:8362-8371.
- (2007) Inorg. Chem. , vol.46 , pp. 8362-8371
- Dhungana, S.¹ Harrington, J.M.² Gebhardt, P.³ Moellmann, U.⁴ Crumbliss, A.L.⁵

40
- 27544477567
- Lautru S., Deeth R.J., Bailey L.M., Challis G.L. Nat. Chem. Biol. 2005, 1:265-269.
- (2005) Nat. Chem. Biol. , vol.1 , pp. 265-269
- Lautru, S.¹ Deeth, R.J.² Bailey, L.M.³ Challis, G.L.⁴

41
- 0004009372
- John Wiley and Sons, New York
- Cotton F.A., Wilkinson G. Advanced Inorganic Chemistry 1988, John Wiley and Sons, New York. 5th edn.
- (1988) Advanced Inorganic Chemistry
- Cotton, F.A.¹ Wilkinson, G.²

42
- 0004105557
- Academic Press, New York
- Mehrotra R.C., Bohra R. Metal Carboxylates 1983, Academic Press, New York.
- (1983) Metal Carboxylates
- Mehrotra, R.C.¹ Bohra, R.²

43
- 0004236008
- Clarendon Press, Oxford, UK
- Frausto da Silva J.J.R., Williams R.J.P. The Biological Chemistry of the Elements: The Inorganic Chemistry of Life 1991, Clarendon Press, Oxford, UK.
- (1991) The Biological Chemistry of the Elements: The Inorganic Chemistry of Life
- Frausto da Silva, J.J.R.¹ Williams, R.J.P.²

44
- 5544242529
- Halgren T.A. J. Comput. Chem. 1999, 20:720-729.
- (1999) J. Comput. Chem. , vol.20 , pp. 720-729
- Halgren, T.A.¹

45
- 49649084687
- Deeth R.J. Inorg. Chem. 2008, 47:6711-6725.
- (2008) Inorg. Chem. , vol.47 , pp. 6711-6725
- Deeth, R.J.¹

46
- 0035323798
- Bersuker I.B. Chem. Rev. 2001, 101:1067-1114.
- (2001) Chem. Rev. , vol.101 , pp. 1067-1114
- Bersuker, I.B.¹

47
- 0002721511
- Simmons C.J. New J. Chem. 1993, 17:77-95.
- (1993) New J. Chem. , vol.17 , pp. 77-95
- Simmons, C.J.¹

48
- 0002528452
- Hathaway B.J. Struct. Bonding 1984, 57:55-118.
- (1984) Struct. Bonding , vol.57 , pp. 55-118
- Hathaway, B.J.¹

49
- 0001475717
- Hathaway B.J. Coord. Chem. Rev. 1981, 35:211-252.
- (1981) Coord. Chem. Rev. , vol.35 , pp. 211-252
- Hathaway, B.J.¹

50
- 21844515246
- Hitchman M.A. Comments Inorg. Chem. 1994, 15:197.
- (1994) Comments Inorg. Chem. , vol.15 , pp. 197
- Hitchman, M.A.¹

51
- 0346407479
- Bersuker I.B. J. Comput. Chem. 1997, 18:260-267.
- (1997) J. Comput. Chem. , vol.18 , pp. 260-267
- Bersuker, I.B.¹

52
- 36549095513
- Riley M.J., Hitchman M.A., Mohammed A.W. J. Chem. Phys. 1987, 87:3766-3778.
- (1987) J. Chem. Phys. , vol.87 , pp. 3766-3778
- Riley, M.J.¹ Hitchman, M.A.² Mohammed, A.W.³

53
- 0000264917
- Deeth R.J., Hitchman M.A. Inorg. Chem. 1986, 25:1225-1233.
- (1986) Inorg. Chem. , vol.25 , pp. 1225-1233
- Deeth, R.J.¹ Hitchman, M.A.²

54
- 33751158593
- Comba P., Zimmer M. Inorg. Chem. 1994, 33:5368-5369.
- (1994) Inorg. Chem. , vol.33 , pp. 5368-5369
- Comba, P.¹ Zimmer, M.²

55
- 37049066593
- Burton V.J., Deeth R.J. J. Chem. Soc. Chem. Commun. 1995, 573-574.
- (1995) J. Chem. Soc. Chem. Commun. , pp. 573-574
- Burton, V.J.¹ Deeth, R.J.²

56
- 0001752768
- Allen F.H. Acta Crystallogr. 2002, B58:380-388.
- (2002) Acta Crystallogr. , vol.58 , pp. 380-388
- Allen, F.H.¹

57
- 0000031451
- Fletcher D.A., McMeeking R.F., Parkin D. J. Chem. Inf. Comput. Sci. 1996, 36:746-749.
- (1996) J. Chem. Inf. Comput. Sci. , vol.36 , pp. 746-749
- Fletcher, D.A.¹ McMeeking, R.F.² Parkin, D.³

58
- 55249094111
- Bentz A., Comba P., Deeth R.J., Kerscher M., Seibold B., Wadepohl H. Inorg. Chem. 2008, 47:9518-9527.
- (2008) Inorg. Chem. , vol.47 , pp. 9518-9527
- Bentz, A.¹ Comba, P.² Deeth, R.J.³ Kerscher, M.⁴ Seibold, B.⁵ Wadepohl, H.⁶

59
- 0142227765
- Deeth R.J., Foulis D.L., Williams-Hubbard B.J. Dalton Trans. 2003, 3949-3955.
- (2003) Dalton Trans. , pp. 3949-3955
- Deeth, R.J.¹ Foulis, D.L.² Williams-Hubbard, B.J.³

60
- 0037141982
- Darhovskii M.B., Razumov M.G., Pletnev I.V., Tchougreeff A.L. Int. J. Quantum Chem. 2002, 88:588-605.
- (2002) Int. J. Quantum Chem. , vol.88 , pp. 588-605
- Darhovskii, M.B.¹ Razumov, M.G.² Pletnev, I.V.³ Tchougreeff, A.L.⁴

61
- 77957365402
- Unpublished work.
- Deeth', R.J. Unpublished work.
- Deeth', R.J.¹

62
- 33745185139
- Deeth R.J. Chem. Commun. 2006, 2551-2553.
- (2006) Chem. Commun. , pp. 2551-2553
- Deeth, R.J.¹

63
- 1542378734
- Solomon E.I., Szilagyi R.K., George S.D., Basumallick L. Chem. Rev. 2004, 104:419-458.
- (2004) Chem. Rev. , vol.104 , pp. 419-458
- Solomon, E.I.¹ Szilagyi, R.K.² George, S.D.³ Basumallick, L.⁴

64
- 35348817950
- Hocking R.K., Deeth R.J., Hambley T.W. Inorg. Chem. 2007, 46:8238-8244.
- (2007) Inorg. Chem. , vol.46 , pp. 8238-8244
- Hocking, R.K.¹ Deeth, R.J.² Hambley, T.W.³

65
- 3843063359
- Bray M.R., Deeth R.J., Paget V.J., Sheen P.D. Int. J. Quantum Chem. 1997, 61:85-91.
- (1997) Int. J. Quantum Chem. , vol.61 , pp. 85-91
- Bray, M.R.¹ Deeth, R.J.² Paget, V.J.³ Sheen, P.D.⁴

66
- 0030606884
- Ryde U., Olsson M.H.M., Pierloot K., Roos B.O. J. Mol. Biol. 1996, 261:586-596.
- (1996) J. Mol. Biol. , vol.261 , pp. 586-596
- Ryde, U.¹ Olsson, M.H.M.² Pierloot, K.³ Roos, B.O.⁴

67
- 0014251790
- Vallee B.L., Williams R.J.P. Proc. Natl. Acad. Sci. U.S.A. 1968, 59:498-505.
- (1968) Proc. Natl. Acad. Sci. U.S.A. , vol.59 , pp. 498-505
- Vallee, B.L.¹ Williams, R.J.P.²

68
- 0027998885
- Malmstrom B.G. Eur. J. Biochem. 1994, 223:711-718.
- (1994) Eur. J. Biochem. , vol.223 , pp. 711-718
- Malmstrom, B.G.¹

69
- 42449155913
- Diedrich C., Deeth R.J. Inorg. Chem. 2008, 47:2494-2506.
- (2008) Inorg. Chem. , vol.47 , pp. 2494-2506
- Diedrich, C.¹ Deeth, R.J.²

70
- 77949272214
- Deeth R.J., Diedrich C. J. Biol. Inorg. Chem. 2010, 15:117.
- (2010) J. Biol. Inorg. Chem. , vol.15 , pp. 117
- Deeth, R.J.¹ Diedrich, C.²

71
- 21844457647
- Richens D.T. Chem. Rev. 2005, 105:1961-2002.
- (2005) Chem. Rev. , vol.105 , pp. 1961-2002
- Richens, D.T.¹

72
- 0003960149
- John Wiley & Sons, New York
- Richens D.T. The Chemistry of Aqua Ions 1997, John Wiley & Sons, New York.
- (1997) The Chemistry of Aqua Ions
- Richens, D.T.¹

73
- 50449087292
- Deeth R.J., Randell K. Inorg. Chem. 2008, 47:7377-7388.
- (2008) Inorg. Chem. , vol.47 , pp. 7377-7388
- Deeth, R.J.¹ Randell, K.²

74
- 0037292251
- Jensen F., Norrby P.O. Theor. Chem. Acc. 2003, 109:1-7.
- (2003) Theor. Chem. Acc. , vol.109 , pp. 1-7
- Jensen, F.¹ Norrby, P.O.²

75
- 84986513571
- Jensen F. J. Comput. Chem. 1994, 15:1199-1216.
- (1994) J. Comput. Chem. , vol.15 , pp. 1199-1216
- Jensen, F.¹

76
- 0003677962
- John Wiley & Sons Inc., New York
- Basolo F., Pearson R.G. Mechanisms of Inorganic Reactions 1967, John Wiley & Sons Inc., New York.
- (1967) Mechanisms of Inorganic Reactions
- Basolo, F.¹ Pearson, R.G.²

77
- 68149131348
- Deeth R.J., Anastasi A., Randell K. Dalton Trans. 2009, 6007-6012.
- (2009) Dalton Trans. , pp. 6007-6012
- Deeth, R.J.¹ Anastasi, A.² Randell, K.³

78
- 27944456894
- Deeth R.J., Hearnshaw L.J.A. Dalton Trans. 2005, 3638-3645.
- (2005) Dalton Trans. , pp. 3638-3645
- Deeth, R.J.¹ Hearnshaw, L.J.A.²

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