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Journal of Computational Chemistry

Volumn 36, Issue 9, 2015, Pages 601-611

Single-ended transition state finding with the growing string method

(1) Zimmerman, Paul M a

a UNIVERSITY OF MICHIGAN (United States)

Author keywords

Single ended; String method; Transition state

Indexed keywords

TRANSITION METALS;

COMPUTATIONALLY EFFICIENT; DOUBLE ENDED METHOD; INTERNAL COORDINATES; SINGLE ENDED METHOD; SINGLE-ENDED; STRING METHODS; SYSTEMATIC EXPLORATION; TRANSITION STATE;

COMPUTATIONAL CHEMISTRY;

EID: 84923247579 PISSN: 01928651 EISSN: 1096987X Source Type: Journal
DOI: 10.1002/jcc.23833 Document Type: Article

Times cited : (183)

References (113)

1
- 0344791553
- A. T. Ziegler, Chem. Rev. 1991, 91, 651.
- (1991) Chem. Rev. , vol.91 , pp. 651
- Ziegler, A.T.¹

2
- 0030218597
- W. Kohn, A. D. Becke, R. G. Parr, J. Phys. Chem. 1996, 100, 12974.
- (1996) J. Phys. Chem. , vol.100 , pp. 12974
- Kohn, W.¹ Becke, A.D.² Parr, R.G.³

3
- 0042534101
- R. G. Parr, W. Yang, J. Am. Chem. Soc. 1984, 106, 4049.
- (1984) J. Am. Chem. Soc. , vol.106 , pp. 4049
- Parr, R.G.¹ Yang, W.²

4
- 77249127120
- Y. Zhao, D. G. Truhlar, J. Chem. Theor. Comput. 2005, 1, 415.
- (2005) J. Chem. Theor. Comput. , vol.1 , pp. 415
- Zhao, Y.¹ Truhlar, D.G.²

5
- 70549084886
- C. J. Cramer, D. G. Truhlar, Phys. Chem. Chem. Phys. 2009, 11, 10757.
- (2009) Phys. Chem. Chem. Phys. , vol.11 , pp. 10757
- Cramer, C.J.¹ Truhlar, D.G.²

6
- 79959446323
- A. T. Bell, M. Head-Gordon, Annu. Rev. Chem. Biomol. Eng. 2011, 2, 453.
- (2011) Annu. Rev. Chem. Biomol. Eng. , vol.2 , pp. 453
- Bell, A.T.¹ Head-Gordon, M.²

7
- 81855185388
- F. J. Keil, Top. Curr. Chem. 2012, 307, 69.
- (2012) Top. Curr. Chem. , vol.307 , pp. 69
- Keil, F.J.¹

8
- 36749114393
- C. J. Cerjan, W. H. Miller, J. Chem. Phys. 1981, 75, 2800.
- (1981) J. Chem. Phys. , vol.75 , pp. 2800
- Cerjan, C.J.¹ Miller, W.H.²

9
- 4243124919
- J. Simons, P. Jorgensen, H. Taylor, J. Ozment, J. Phys. Chem. 1983, 87, 2745.
- (1983) J. Phys. Chem. , vol.87 , pp. 2745
- Simons, J.¹ Jorgensen, P.² Taylor, H.³ Ozment, J.⁴

10
- 63449100202
- E. Cancë, F. Legoll, M. C. Marinica, K. Minoukadeh, F. Willaime, J. Chem. Phys. 2009, 130, 114711.
- (2009) J. Chem. Phys. , vol.130 , pp. 114711
- Cancë, E.¹ Legoll, F.² Marinica, M.C.³ Minoukadeh, K.⁴ Willaime, F.⁵

11
- 0010394929
- D. Poppinger, Chem. Phys. Lett. 1975, 35, 550.
- (1975) Chem. Phys. Lett. , vol.35 , pp. 550
- Poppinger, D.¹

12
- 0038003008
- B. Peters, W.-Z. Liang, A. T. Bell, A. Chakraborty, J. Chem. Phys. 2003, 118, 9533.
- (2003) J. Chem. Phys. , vol.118 , pp. 9533
- Peters, B.¹ Liang, W.-Z.² Bell, A.T.³ Chakraborty, A.⁴

13
- 0036790894
- M. Laio, M. Parrinello, Proc. Natl. Acad. Sci. 2002, 99, 12562.
- (2002) Proc. Natl. Acad. Sci. , vol.99 , pp. 12562
- Laio, M.¹ Parrinello, M.²

14
- 0041810451
- M. Ianuzzi, A. Laio, M. Parrinello, Phys. Rev. Lett. 2003, 90, 238302.
- (2003) Phys. Rev. Lett. , vol.90 , pp. 238302
- Ianuzzi, M.¹ Laio, A.² Parrinello, M.³

15
- 33644968698
- B. Ensing, M. de Vivo, Z. Liu, P. Moore, M. L. Klein, Acc. Chem. Res. 2006, 39, 73.
- (2006) Acc. Chem. Res. , vol.39 , pp. 73
- Ensing, B.¹ De Vivo, M.² Liu, Z.³ Moore, P.⁴ Klein, M.L.⁵

16
- 0037080723
- E. M. Mueller, A. de Meijere, H. Grubmueller, J. Chem. Phys. 2002, 116, 897.
- (2002) J. Chem. Phys. , vol.116 , pp. 897
- Mueller, E.M.¹ De Meijere, A.² Grubmueller, H.³

17
- 84859524657
- A. Samanta, E. Weinan, J. Chem. Phys. 2012, 136, 124104.
- (2012) J. Chem. Phys. , vol.136 , pp. 124104
- Samanta, A.¹ Weinan, E.²

18
- 77952347763
- S. K. Burger, P. W. Ayers, J. Chem. Phys. 2010, 132, 234110.
- (2010) J. Chem. Phys. , vol.132 , pp. 234110
- Burger, S.K.¹ Ayers, P.W.²

19
- 84863972161
- M. Chen, M. A. Cuendet, M. E. Tuckerman, J. Chem. Phys. 2012, 137, 24102.
- (2012) J. Chem. Phys. , vol.137 , pp. 24102
- Chen, M.¹ Cuendet, M.A.² Tuckerman, M.E.³

20
- 74049164876
- S. Maeda, K. Ohno, K. Morokuma, J. Chem. Theory Comput. 2009, 5, 2734.
- (2009) J. Chem. Theory Comput. , vol.5 , pp. 2734
- Maeda, S.¹ Ohno, K.² Morokuma, K.³

21
- 80051639102
- S. Maeda, K. Morokuma, J. Chem. Theor. Comput. 2011, 7, 2335.
- (2011) J. Chem. Theor. Comput. , vol.7 , pp. 2335
- Maeda, S.¹ Morokuma, K.²

22
- 84870869864
- S. Maeda, E. Abe, M. Hatanka, T. Taketsugu, K. Morokuma, J. Chem. Theor. Comput. 2012, 8, 5058.
- (2012) J. Chem. Theor. Comput. , vol.8 , pp. 5058
- Maeda, S.¹ Abe, E.² Hatanka, M.³ Taketsugu, T.⁴ Morokuma, K.⁵

23
- 84986439201
- H. B. Schlegel, J. Comput. Chem. 1982, 3, 214.
- (1982) J. Comput. Chem. , vol.3 , pp. 214
- Schlegel, H.B.¹

24
- 0000327364
- G. Henkelman, H. Jonsson, J. Chem. Phys. 1999, 111, 7010.
- (1999) J. Chem. Phys. , vol.111 , pp. 7010
- Henkelman, G.¹ Jonsson, H.²

25
- 29244462339
- A. Heyden, A. T. Bell, F. J. Keil, J. Chem. Phys. 2005, 123, 224101.
- (2005) J. Chem. Phys. , vol.123 , pp. 224101
- Heyden, A.¹ Bell, A.T.² Keil, F.J.³

26
- 84988122931
- J. Baker, J. Comput. Chem. 1986, 7, 385.
- (1986) J. Comput. Chem. , vol.7 , pp. 385
- Baker, J.¹

27
- 0009990848
- D. J. Wales, J. Chem. Soc. Faraday Trans. 1992, 88, 653.
- (1992) J. Chem. Soc. Faraday Trans. , vol.88 , pp. 653
- Wales, D.J.¹

28
- 47349088900
- J. M. del Campo, A. M. Koster, J. Chem. Phys. 2008, 129, 024107.
- (2008) J. Chem. Phys. , vol.129 , pp. 024107
- Del Campo, J.M.¹ Koster, A.M.²

29
- 84855230274
- H. B. Schlegel, WIREs Comput. Mol. Sci. 2011, 1, 790.
- (2011) WIREs Comput.Mol. Sci. , vol.1 , pp. 790
- Schlegel, H.B.¹

30
- 0042061008
- H. B. Schlegel, J. Comput. Chem. 2003, 24, 1514.
- (2003) J. Comput. Chem. , vol.24 , pp. 1514
- Schlegel, H.B.¹

31
- 84870873300
- J. W. May, J. D. Lehner, M. J. Frisch, X. S. Li, J. Chem. Theor. Comput. 2012, 8, 5175.
- (2012) J. Chem. Theor. Comput. , vol.8 , pp. 5175
- May, J.W.¹ Lehner, J.D.² Frisch, M.J.³ Li, X.S.⁴

32
- 33846237786
- X. S. Li, M. J. Frisch, J. Chem. Theor. Comput. 2006, 2, 835.
- (2006) J. Chem. Theor. Comput. , vol.2 , pp. 835
- Li, X.S.¹ Frisch, M.J.²

33
- 78149425464
- W. Liang, H. Wang, J. Hung, X. S. Li, M. J. Frisch, J. Chem Theor. Comput. 2010, 6, 2034.
- (2010) J. Chem Theor. Comput. , vol.6 , pp. 2034
- Liang, W.¹ Wang, H.² Hung, J.³ Li, X.S.⁴ Frisch, M.J.⁵

34
- 0000989086
- J. Baker, A. Kessi, B. Delley, J. Chem. Phys. 1996, 105, 192.
- (1996) J. Chem. Phys. , vol.105 , pp. 192
- Baker, J.¹ Kessi, A.² Delley, B.³

35
- 0037159980
- V. Bakken, T. Helgaker, J. Chem. Phys. 2002, 117, 9160.
- (2002) J. Chem. Phys. , vol.117 , pp. 9160
- Bakken, V.¹ Helgaker, T.²

36
- 0034658025
- S. R. Billeter, A. J. Turner, W. Thiel, Phys. Chem. Chem. Phys. 2000, 2, 2177.
- (2000) Phys. Chem. Chem. Phys. , vol.2 , pp. 2177
- Billeter, S.R.¹ Turner, A.J.² Thiel, W.³

37
- 0001630010
- J. Baker, J. Comput. Chem. 1993, 14, 1085.
- (1993) J. Comput. Chem. , vol.14 , pp. 1085
- Baker, J.¹

38
- 36449004262
- P. Pulay, G. Fogarasi, J. Chem. Phys. 1992, 96, 2856.
- (1992) J. Chem. Phys. , vol.96 , pp. 2856
- Pulay, P.¹ Fogarasi, G.²

39
- 0034295238
- B. Paizs, J. Baker, S. Suhai, P. Pulay, J. Chem. Phys. 2000, 133, 6566.
- (2000) J. Chem. Phys. , vol.133 , pp. 6566
- Paizs, B.¹ Baker, J.² Suhai, S.³ Pulay, P.⁴

40
- 0039047376
- A. Banerjee, N. Adams, J. Simons, R. Shepard, J. Phys. Chem. 1995, 89, 52.
- (1995) J. Phys. Chem. , vol.89 , pp. 52
- Banerjee, A.¹ Adams, N.² Simons, J.³ Shepard, R.⁴

41
- 0000642111
- J. Baker, F. Chan, J. Comput. Chem. 1996, 17, 888.
- (1996) J. Comput. Chem. , vol.17 , pp. 888
- Baker, J.¹ Chan, F.²

42
- 43949138593
- R. Granot, B. A. Baer, J. Chem. Phys. 2008, 128, 184111.
- (2008) J. Chem. Phys. , vol.128 , pp. 184111
- Granot, R.¹ Baer, B.A.²

43
- 79960228028
- S. A. Ghasemi, S. Goedecker, J. Chem. Phys. 2011, 135, 014108.
- (2011) J. Chem. Phys. , vol.135 , pp. 014108
- Ghasemi, S.A.¹ Goedecker, S.²

44
- 0000118540
- P. Y. Ayala, H. B. Schlegel, J. Chem. Phys. 1997, 107, 375.
- (1997) J. Chem. Phys. , vol.107 , pp. 375
- Ayala, P.Y.¹ Schlegel, H.B.²

45
- 2442481958
- C. Peng, P. Y. Ayala, H. B. Schlegel, M. J. Frisch, J. Comput. Chem. 1996, 17, 49.
- (1996) J. Comput. Chem. , vol.17 , pp. 49
- Peng, C.¹ Ayala, P.Y.² Schlegel, H.B.³ Frisch, M.J.⁴

46
- 85005693478
- C. Peng, H. B. Schlegel, Israel J. Chem. 1994, 33, 449.
- (1994) Israel J. Chem. , vol.33 , pp. 449
- Peng, C.¹ Schlegel, H.B.²

47
- 3442902425
- G. Mills, H. Jonsson, Phys. Rev. Lett. 1994, 72, 1124.
- (1994) Phys. Rev. Lett. , vol.72 , pp. 1124
- Mills, G.¹ Jonsson, H.²

48
- 1242329035
- G. Henkelman, H. Jonsson, J. Chem. Phys. 2000, 113, 9978.
- (2000) J. Chem. Phys. , vol.113 , pp. 9978
- Henkelman, G.¹ Jonsson, H.²

49
- 0034513054
- G. Henkelman, B. P. Uberuaga, H. J. Jonsson, J. Chem. Phys. 2000, 113, 9901.
- (2000) J. Chem. Phys. , vol.113 , pp. 9901
- Henkelman, G.¹ Uberuaga, B.P.² Jonsson, H.J.³

50
- 1442282189
- S. A. Trygubenko, D. J. Wales, J. Chem. Phys. 2004, 120, 2082.
- (2004) J. Chem. Phys. , vol.120 , pp. 2082
- Trygubenko, S.A.¹ Wales, D.J.²

51
- 0942268404
- J. Chu, B. Trout, B. A. Brooks, J. Chem. Phys. 2003, 119, 12708.
- (2003) J. Chem. Phys. , vol.119 , pp. 12708
- Chu, J.¹ Trout, B.² Brooks, B.A.³

52
- 41949085799
- D. Sheppard, R. Terrell, G. Henkelman, J. Chem. Phys. 2008, 128, 134106.
- (2008) J. Chem. Phys. , vol.128 , pp. 134106
- Sheppard, D.¹ Terrell, R.² Henkelman, G.³

53
- 0036696910
- W. E, W. Ren, E. Vanden-Eijnden, Phys. Rev. B 2002, 66, 052301.
- (2002) Phys. Rev. B , vol.66 , pp. 052301
- E., W.¹ Ren, W.² Vanden-Eijnden, E.³

54
- 17544365232
- E. Weinan, W. Ren, E. Vanden-Eijnden, J. Phys. Chem. B 2005, 109, 6688.
- (2005) J. Phys. Chem. B , vol.109 , pp. 6688
- Weinan, E.¹ Ren, W.² Vanden-Eijnden, E.³

55
- 34247881948
- W. Ren, E. Vanden-Eijnden, J. Chem. Phys. 2007, 126, 164103.
- (2007) J. Chem. Phys. , vol.126 , pp. 164103
- Ren, W.¹ Vanden-Eijnden, E.²

56
- 33745160122
- S. K. Burger, W. Yang, J. Chem. Phys. 2006, 24, 054109.
- (2006) J. Chem. Phys. , vol.24 , pp. 054109
- Burger, S.K.¹ Yang, W.²

57
- 36048930097
- S. K. Burger, W. Yang, J. Chem. Phys. 2007, 127, 164107.
- (2007) J. Chem. Phys. , vol.127 , pp. 164107
- Burger, S.K.¹ Yang, W.²

58
- 84857090068
- H. Chaffey-Millar, A. Nikodem, A. V. Matveev, S. Krüger, N. Röosch, J. Chem. Theor. Comput. 2012, 8, 777.
- (2012) J. Chem. Theor. Comput. , vol.8 , pp. 777
- Chaffey-Millar, H.¹ Nikodem, A.² Matveev, A.V.³ Krüger, S.⁴ Rösch, N.⁵

59
- 84873575678
- J. Jung, S. Re, S. Ten-no, J. Chem. Phys. 2013, 138, 044106.
- (2013) J. Chem. Phys. , vol.138 , pp. 044106
- Jung, J.¹ Re, S.² Ten-no, S.³

60
- 80052263526
- Y. Liu, S. K. Burger, P. W. Ayers, J. Math. Chem. 2011, 49, 1915.
- (2011) J. Math. Chem. , vol.49 , pp. 1915
- Liu, Y.¹ Burger, S.K.² Ayers, P.W.³

61
- 84870948871
- P. Tao, M. Hodoscek, J. D. Larkin, Y. Shao, B. R. Brooks, J. Chem. Theor. Comput. 2012, 8, 5035.
- (2012) J. Chem. Theor. Comput. , vol.8 , pp. 5035
- Tao, P.¹ Hodoscek, M.² Larkin, J.D.³ Shao, Y.⁴ Brooks, B.R.⁵

62
- 77955378349
- J. Klimes, D. R. Bowler, A. Michaelides, J. Phys. Condens. Matter 2010, 22, 074203.
- (2010) J. Phys. Condens. Matter , vol.22 , pp. 074203
- Klimes, J.¹ Bowler, D.R.² Michaelides, A.³

63
- 84874914216
- P. Plessow, J. Chem. Theor. Comput. 2013, 9, 1305.
- (2013) J. Chem. Theor. Comput. , vol.9 , pp. 1305
- Plessow, P.¹

64
- 84876115120
- W. Ren, E. Vanden-Eijnden, J. Chem. Phys. 2013, 138, 134105.
- (2013) J. Chem. Phys. , vol.138 , pp. 134105
- Ren, W.¹ Vanden-Eijnden, E.²

65
- 2442486484
- B. Peters, A. Heyden, A. T. Bell, A. Chakraborty, J. Chem. Phys. 2004, 120, 7877.
- (2004) J. Chem. Phys. , vol.120 , pp. 7877
- Peters, B.¹ Heyden, A.² Bell, A.T.³ Chakraborty, A.⁴

66
- 55949137653
- A. Goodrow, A. T. Bell, M. Head-Gordon, J. Chem. Phys. 2008, 129, 174109.
- (2008) J. Chem. Phys. , vol.129 , pp. 174109
- Goodrow, A.¹ Bell, A.T.² Head-Gordon, M.³

67
- 18744412161
- W. A. Quapp, J. Chem. Phys. 2005, 122, 174106.
- (2005) J. Chem. Phys. , vol.122 , pp. 174106
- Quapp, W.A.¹

68
- 83455235783
- A. Behn, P. M. Zimmerman, A. T. Bell, M. Head-Gordon, J. Chem. Theor. Comput. 2011, 7, 4019.
- (2011) J. Chem. Theor. Comput. , vol.7 , pp. 4019
- Behn, A.¹ Zimmerman, P.M.² Bell, A.T.³ Head-Gordon, M.⁴

69
- 84870905617
- S. M. Sharada, P. M. Zimmerman, A. T. Bell, M. Head-Gordon, J. Chem. Theor. Comput. 2012, 8, 5166.
- (2012) J. Chem. Theor. Comput. , vol.8 , pp. 5166
- Sharada, S.M.¹ Zimmerman, P.M.² Bell, A.T.³ Head-Gordon, M.⁴

70
- 83755225749
- A. Behn, P. M. Zimmerman, A. T. Bell, M. Head-Gordon, J. Chem. Phys. 2011, 135, 224108.
- (2011) J. Chem. Phys. , vol.135 , pp. 224108
- Behn, A.¹ Zimmerman, P.M.² Bell, A.T.³ Head-Gordon, M.⁴

71
- 84877972311
- P. M. Zimmerman, J. Chem. Phys. 2013, 138, 184102.
- (2013) J. Chem. Phys. , vol.138 , pp. 184102
- Zimmerman, P.M.¹

72
- 84880034916
- P. M. Zimmerman, J. Chem. Theor. Comput. 2013, 9, 3043.
- (2013) J. Chem. Theor. Comput. , vol.9 , pp. 3043
- Zimmerman, P.M.¹

73
- 0000359491
- J. M. Anglada, E. Besalu, J. M. Bofill, R. Creheut, J. Comput. Chem. 2001, 22, 387.
- (2001) J. Comput. Chem. , vol.22 , pp. 387
- Anglada, J.M.¹ Besalu, E.² Bofill, J.M.³ Creheut, R.⁴

74
- 0035608214
- J. M. Bofill, J. M. Anglada, Theor. Chem. Acc. 2001, 105, 463.
- (2001) Theor. Chem. Acc. , vol.105 , pp. 463
- Bofill, J.M.¹ Anglada, J.M.²

75
- 84879138352
- T. Lankau, C.-H. Yu, J. Chem. Phys. 2013, 138, 214102.
- (2013) J. Chem. Phys. , vol.138 , pp. 214102
- Lankau, T.¹ Yu, C.-H.²

76
- 0001407648
- W. Quapp, M. Hirsch, O. Imig, D. Heidrich, J. Comput. Chem. 1998, 19, 1087.
- (1998) J. Comput. Chem. , vol.19 , pp. 1087
- Quapp, W.¹ Hirsch, M.² Imig, O.³ Heidrich, D.⁴

77
- 79951931346
- J. M. Bofill, W. Quapp, J. Chem. Phys. 2011, 134, 074101.
- (2011) J. Chem. Phys. , vol.134 , pp. 074101
- Bofill, J.M.¹ Quapp, W.²

78
- 80052263526
- Y. Liu, S. K. Burger, P. W. Ayers, J. Math. Chem. 2011, 49, 1915.
- (2011) J. Math. Chem. , vol.49 , pp. 1915
- Liu, Y.¹ Burger, S.K.² Ayers, P.W.³

79
- 77952347763
- S. K. Burger, P. W. Ayers, J. Chem. Phys. 2010, 132, 234110.
- (2010) J. Chem. Phys. , vol.132 , pp. 234110
- Burger, S.K.¹ Ayers, P.W.²

80
- 84863663619
- C. Sheng, Z.-P. Liu, J. Chem. Theor. Comput. 2012, 8, 2215.
- (2012) J. Chem. Theor. Comput. , vol.8 , pp. 2215
- Sheng, C.¹ Liu, Z.-P.²

81
- 77958398767
- C. G. Broyden, J. Inst. Math. Appl. 1970, 6, 76.
- (1970) J. Inst. Math. Appl. , vol.6 , pp. 76
- Broyden, C.G.¹

82
- 0014825610
- R. Fletcher, Comput. J. 1970, 13, 317.
- (1970) Comput. J. , vol.13 , pp. 317
- Fletcher, R.¹

83
- 84966251980
- D. Goldfarb, Math. Comput. 1970, 24, 23.
- (1970) Math. Comput. , vol.24 , pp. 23
- Goldfarb, D.¹

84
- 84968497764
- D. F. Shanno, Math. Comput. 1970, 24, 647.
- (1970) Math. Comput. , vol.24 , pp. 647
- Shanno, D.F.¹

85
- 84986513718
- J. M. Bofill, J. Comput. Chem. 1994, 15, 1.
- (1994) J. Comput. Chem. , vol.15 , pp. 1
- Bofill, J.M.¹

86
- 84877708271
- P. M. Zimmerman, J. Comput. Chem. 2013, 34, 1385.
- (2013) J. Comput. Chem. , vol.34 , pp. 1385
- Zimmerman, P.M.¹

87
- 84923228825
- P. M. Zimmerman, Mol. Simul. 2015, 41, 43-54.
- (2015) Mol. Simul. , vol.41 , pp. 43-54
- Zimmerman, P.M.¹

88
- 84880005332
- Erlangen, Germany
- E. V. Anoshkina, A. G. Belyaev, H.-P. Seidel, In Proceedings of Vision, Modeling, and Visualization (VMV); Erlangen, Germany, 2002.
- (2002) Proceedings of Vision, Modeling, and Visualization (VMV)
- Anoshkina, E.V.¹ Belyaev, A.G.² Seidel, H.-P.³

89
- 84899869792
- S. M. Sharada, A. T. Bell, M. Head-Gordon, J. Chem. Phys. 2014, 140, 164115.
- (2014) J. Chem. Phys. , vol.140 , pp. 164115
- Sharada, S.M.¹ Bell, A.T.² Head-Gordon, M.³

90
- 5344230920
- E. R. Davidson, J. Comput. Phys. 1975, 17, 87.
- (1975) J. Comput. Phys. , vol.17 , pp. 87
- Davidson, E.R.¹

91
- 4243553426
- A. D. Becke, Phys. Rev. A 1998, 38, 3098.
- (1998) Phys. Rev. A , vol.38 , pp. 3098
- Becke, A.D.¹

92
- 0345491105
- C. Lee, W. Yang, R. G. Parr, Phys. Rev. B 1988, 37, 785.
- (1988) Phys. Rev. B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

93
- 0000189651
- A. D. Becke, J. Chem. Phys. 1993, 98, 5648.
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

94
- 33745770836
- P. J. Hay, W. R. Wadt, J. Chem. Phys. 1985, 82, 270.
- (1985) J. Chem. Phys. , vol.82 , pp. 270
- Hay, P.J.¹ Wadt, W.R.²

95
- 84855715206
- P. J. Hay, W. R. Wadt, J. Chem. Phys. 1985, 82, 284.
- (1985) J. Chem. Phys. , vol.82 , pp. 284
- Hay, P.J.¹ Wadt, W.R.²

96
- 27344448074
- P. J. Hay W. R. Wadt, J. Chem. Phys. 1985, 82, 299.
- (1985) J. Chem. Phys. , vol.82 , pp. 299
- Hay, P.J.¹ Wadt, W.R.²

97
- 33746563448
- Y. Shao, L. Fusti-Molnar, Y. Jung, J. Kussmann, C. Ochsenfeld, S. T. Brown, A. T. B. Gilbert, L. V. Slipchenko, S. V. Levchenko, D. P. O'Neill, R. A. Distasio Jr., R. C. Lochan, T. Wang, G. J. O. Beran, N. A. Besley, J. M., Herbert, C. Y. Lin, T. Van Voorhis, S. H. Chien, A. Sodt, R. P. Steele, V. A. Rassolov, P. E. Maslen, P. P. Korambath, R. D. Adamson, B. Austin, J. Baker, E. F. C. Byrd, H. Dachsel, R. J. Doerksen, A. Dreuw, B. D. Dunietz, A. D. Dutoi, T. R. Furlani, S. R. Gwaltney, A. Heyden, S. Hirata, C.-P. Hsu, G. Kedziora, R. Z. Khalliulin, P. Klunzinger, A. M. Lee, M. S. Lee, W. Liang, I. Lotan, N. Nair, B. Peters, E. I. Proynov, P. A. Pieniazek, Y. M. Rhee, J. Ritchie, E. Rosta, C. D. Sherrill, A. C. Simmonett, J. E. Subotnik, H. L. Woodcock III, W. Zhang, A. T. Bell, A. K. Chakraborty, D. M. Chipman, F. J. Keil, A. Warshel, W. J. Hehre, H. F. Schaefer III, J. Kong, A. I. Krylov, P. M. W. Gill, M. Head-Gordon, Phys. Chem. Chem. Phys. 2006, 8, 3172.
- (2006) Phys. Chem. Chem. Phys. , vol.8 , pp. 3172
- Shao, Y.¹ Fusti-Molnar, L.² Jung, Y.³ Kussmann, J.⁴ Ochsenfeld, C.⁵ Brown, S.T.⁶ Gilbert, A.T.B.⁷ Slipchenko, L.V.⁸ Levchenko, S.V.⁹ O'Neill, D.P.¹⁰ Distasio, R.A.¹¹ Lochan, R.C.¹² Wang, T.¹³ Beran, G.J.O.¹⁴ Besley, N.A.¹⁵ M., J.¹⁶ Herbert, C.Y.L.¹⁷ Van Voorhis, T.¹⁸ Chien, S.H.¹⁹ Sodt, A.²⁰ more..

98
- 0029878720
- W. Humphrey, A. Dalke, K. Schulten, J. Mol. Graphics 1996, 14, 33.
- (1996) J. Mol. Graphics , vol.14 , pp. 33
- Humphrey, W.¹ Dalke, A.² Schulten, K.³

99
- 84962105974
- O. Diels, L. Alder, Liebigs Ann. Chem. 1928, 460, 98.
- (1928) Liebigs Ann. Chem. , vol.460 , pp. 98
- Diels, O.¹ Alder, L.²

100
- 0037495961
- A. Perczel, O. Farkas, I. Jakli, I. A. Topol, I. G. Csizmadia, J. Comput. Chem. 2003, 24, 1026.
- (2003) J. Comput. Chem. , vol.24 , pp. 1026
- Perczel, A.¹ Farkas, O.² Jakli, I.³ Topol, I.A.⁴ Csizmadia, I.G.⁵

101
- 0012233552
- A. E. Shilov, G. B. Shul'pin, Chem. Rev. 1997, 97, 2879.
- (1997) Chem. Rev. , vol.97 , pp. 2879
- Shilov, A.E.¹ Shul'Pin, G.B.²

102
- 21844451374
- M. Lersch, M. Tilset, Chem. Rev. 2005, 105, 2471.
- (2005) Chem. Rev. , vol.105 , pp. 2471
- Lersch, M.¹ Tilset, M.²

103
- 33847373438
- A. Paul, C. B. Musgrave, Organometallics 2007, 26, 793.
- (2007) Organometallics , vol.26 , pp. 793
- Paul, A.¹ Musgrave, C.B.²

104
- 78149277188
- J. R. Locke, A. J. McNeil, Macromolecules 2010, 43, 8709.
- (2010) Macromolecules , vol.43 , pp. 8709
- Locke, J.R.¹ McNeil, A.J.²

105
- 84874631073
- Z. J. Bryan, A. J. McNeil, Chem. Sci. 2013, 4, 1620.
- (2013) Chem. Sci. , vol.4 , pp. 1620
- Bryan, Z.J.¹ McNeil, A.J.²

106
- 36049047625
- A. Paul, C. B. Musgrave, Angew. Chem. Int. Ed. 2007, 46, 8153.
- (2007) Angew. Chem. Int. Ed. , vol.46 , pp. 8153
- Paul, A.¹ Musgrave, C.B.²

107
- 61849104854
- J. M. Rose, F. Deplace, N. A. Lynd, Z. Wang, A. Hotta, E. B. Lobkovsky, E. J. Kramer, G. W. Coates, Macromolecules 2008, 41, 9548.
- (2008) Macromolecules , vol.41 , pp. 9548
- Rose, J.M.¹ Deplace, F.² Lynd, N.A.³ Wang, Z.⁴ Hotta, A.⁵ Lobkovsky, E.B.⁶ Kramer, E.J.⁷ Coates, G.W.⁸

108
- 33645468608
- J. M. Rose, A. E. Cherian, G. W. Coates, J. Am. Chem. Soc. 2006, 128, 4186.
- (2006) J. Am. Chem. Soc. , vol.128 , pp. 4186
- Rose, J.M.¹ Cherian, A.E.² Coates, G.W.³

109
- 37049103266
- 1985
- A. D. Ryabov, A. K. Sakodinskaya, A. K. Yatsimirsky, J. Chem. Soc. Dalton Trans. 1985, 1985, 2629.
- (1985) J. Chem. Soc. Dalton Trans. , pp. 2629
- Ryabov, A.D.¹ Sakodinskaya, A.K.² Yatsimirsky, A.K.³

110
- 36749003741
- M. Lafrance, S. I. Gorelsky, K. Fagnou, J. Am. Chem. Soc. 2007, 129, 14570.
- (2007) J. Am. Chem. Soc. , vol.129 , pp. 14570
- Lafrance, M.¹ Gorelsky, S.I.² Fagnou, K.³

111
- 84877055012
- A. Maleckis, J. W. Kampf, M. S. Sanford, J. Am. Chem. Soc. 2013, 135, 6618.
- (2013) J. Am. Chem. Soc. , vol.135 , pp. 6618
- Maleckis, A.¹ Kampf, J.W.² Sanford, M.S.³

112
- 68949097299
- T. B. Lee, M. L. McKee, Inorg. Chem. 2009, 48, 7564.
- (2009) Inorg. Chem. , vol.48 , pp. 7564
- Lee, T.B.¹ McKee, M.L.²

113
- 38549083322
- Z. Xiong, C. K. Yong, G. Wu, P. Chen, W. Shaw, A. Karkamkar, T. Autrey, M. O. Jones, S. R. Johnson, P. P. Edwards, W. I. F. David, Nat. Mater. 2008, 7, 138.
- (2008) Nat. Mater. , vol.7 , pp. 138
- Xiong, Z.¹ Yong, C.K.² Wu, G.³ Chen, P.⁴ Shaw, W.⁵ Karkamkar, A.⁶ Autrey, T.⁷ Jones, M.O.⁸ Johnson, S.R.⁹ Edwards, P.P.¹⁰ David, W.I.F.¹¹

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