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Journal of Chemical Physics

Volumn 115, Issue 1, 2001, Pages 90-102

Symmetry-breaking and near-symmetry-breaking in three-electron-bonded radical cations

(3) Braida B a Lauvergnat, D a Hiberty, P C a

a UNIVERSITÉ PARIS SUD (France)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; COMPUTATIONAL METHODS; CORRELATION METHODS; DISSOCIATION; ELECTRON ENERGY LEVELS; MATHEMATICAL MODELS; PERTURBATION TECHNIQUES; POSITIVE IONS; WAVE EQUATIONS;

AVERAGE QUADRATIC COUPLED-CLUSTERS (AQCC); IONIZATION POTENTIALS (IP);

FREE RADICALS;

EID: 0035396041 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1373427 Document Type: Article

Times cited : (41)

References (98)

1
- 0001440810
- edited by C. Chatgilialoglu and K.-D. Amus (Plenum, New York)
- (1990) Sulfur-Centered Reactive Intermediates in Chemistry and Biology , pp. 155
- Asmus, K.-D.¹

2
- 0003515441
- Sulfar-Centered Reactive Intermediates in Chemistry and Biology , pp. 135
- Gilbert, B.C.¹

3
- 33845280508
- and references therein
- (1988) J. Am. Chem. Soc. , vol.110 , pp. 1672
- Clark, T.¹

4
- 0002929969
- (1983) Adv. Chem. Phys. , vol.52 , pp. 263
- Ng, C.Y.¹

5
- 0002652663
- (1985) Adv. At. Mol. Phys. , vol.20 , pp. 66
- Mark, T.D.¹ Castleman A.W., Jr.²

6
- 4043093778
- (1986) Chem. Rev. , vol.86 , pp. 589
- Castleman A.W., Jr.¹ Keesee, R.G.²

7
- 0000729282
- (1978) J. Am. Chem. Soc. , vol.100 , pp. 5466
- Meot-Ner, M.¹ Hamlet, P.² Hunter, E.P.³ Field, F.H.⁴

8
- 33845471629
- (1984) Acc. Chem. Res. , vol.17 , pp. 186
- Meot-Ner, M.¹

9
- 0003698548
- Academic, New York
- (1979) Gas Phase Ion Chemistry , vol.1-2
- Bowers, M.T.¹

10
- 33845279193
- (1988) J. Am. Chem. Soc. , vol.110 , pp. 7980
- Illies, A.J.¹ Livant, P.² McKee, M.L.³

11
- 0001608194
- (1995) J. Am. Chem. Soc. , vol.117 , pp. 420
- Deng, Y.¹ Illies, A.J.² James, M.A.³ McKee, M.L.⁴ Peschke, M.⁵

12
- 33751156689
- (1996) J. Phys. Chem. , vol.100 , pp. 15794
- James, M.A.¹ Illies, A.J.²

13
- 0000417927
- (1998) J. Phys. Chem. A , vol.102 , pp. 8774
- Illies, A.J.¹

14
- 0004586291
- in preparation
- Braïda, B.¹ Hazebrouck, S.² Hiberty, P.C.³

15
- 0001706103
- (1996) Int. J. Mass Spectrom. Ion Processes , vol.157-158 , pp. 283
- De Visser, S.P.¹ De Koning, L.J.² Nibbering, N.M.M.³

16
- 0002747068
- (1998) Int. J. Mass. Spectrom. , vol.179-180 , pp. 43
- De Visser, S.P.¹ Bickelhaupt, F.M.² De Koning, L.J.³ Nibbering, N.M.M.⁴

17
- 0001150911
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 1510
- Livant, P.¹ Illies, A.G.²

18
- 0032564845
- (1998) J. Am. Chem. Soc. , vol.120 , pp. 1517
- De Visser, S.P.¹ De Koning, L.J.² Nibbering, N.M.M.³

19
- 0032564846
- (1998) J. Am. Chem. Soc. , vol.120 , pp. 1538
- Nichols, L.S.¹ McKee, M.L.² Illies, A.J.³

20
- 0001119602
- 187
- (1999) Int. J. Mass. Spectrom. , vol.185-186 , pp. 413
- Nichols, L.S.¹ Illies, A.J.²

21
- 0032830992
- (1999) J. Am. Chem. Soc. , vol.121 , pp. 9176
- Nichols, L.S.¹ Illies, A.J.²

22
- 0008684201
- J. Chem. Soc. Chem. Commun. , vol.1986 , pp. 1424
- Ganghi, N.¹ Wyatt, J.L.² Symons, M.C.R.³

23
- 0001657099
- and references therein
- (1983) Acc. Chem. Res. , vol.16 , pp. 321
- Alder, R.W.¹

24
- 37049068184
- J. Chem. Soc., Perkin Trans.2 , vol.1986 , pp. 277
- Alder, R.W.¹ Bonifacic, M.² Asmus, K.-D.³

25
- 0000441595
- (1988) J. Am. Chem. Soc. , vol.110 , pp. 971
- Dinnocenzo, J.P.¹ Banach, T.E.²

26
- 0001046615
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 2462
- Dinnocenzo, J.P.¹ Todd, W.P.² Simpson, T.R.³ Gould, I.R.⁴

27
- 0000194904
- (1986) J. Am. Chem. Soc. , vol.108 , pp. 3781
- Gerson, F.¹ Knöbel, J.² Buser, U.³ Vogel, E.⁴ Zehuder, M.⁵

28
- 37049141449
- J. Chem. Soc., Faraday Trans.2 , vol.1972 , pp. 1589
- Lyons, A.R.¹ Symons, M.C.R.²

29
- 37049104590
- J. Chem. Soc. Chem. Commun. , vol.1982 , pp. 851
- Symons, M.C.R.¹ McConnachie, G.D.G.²

30
- 0004613174
- (1980) J. Phys. Chem. , vol.84 , pp. 3483
- Hudson, R.L.¹ Williams, F.²

31
- 4243226056
- (1975) Chem. Phys. Lett. , vol.34 , pp. 302
- Nishikada, K.¹ Williams, F.²

32
- 0000722689
- (1988) J. Phys. Chem. , vol.92 , pp. 118
- Mohan, H.¹ Asmus, K.-D.²

33
- 0001149449
- (1978) J. Am. Chem. Soc. , vol.100 , pp. 7754
- Musker, W.K.¹ Hirschon, A.S.² Doi, J.T.³

34
- 0001310587
- (1977) Discuss. Faraday Soc. , vol.63 , pp. 1748
- Asmus, K.-D.¹ Bahemenn, D.² Bonifacic, M.³ Gillis, H.A.⁴

35
- 37049094734
- J. Chem. Soc., Faraday Trans.2 , vol.1978 , pp. 210
- Symons, M.C.R.¹ Petersen, R.L.²

36
- 20644441466
- J. Chem. Soc., Perkin Trans. , vol.1980 , pp. 758
- Bonifacic, M.¹ Asmus, K.-D.²

37
- 0003188235
- J. Chem. Soc., Perkin Trans.2 , vol.1985 , pp. 641
- Asmus, K.-D.¹ Göebl, M.² Hiller, K.O.³ Mahling, S.⁴ Möning, J.⁵

38
- 0000547065
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 8614
- Abu-Raqabah, A.¹ Symons, M.C.R.²

39
- 0001495367
- (1991) J. Phys. Chem. , vol.95 , pp. 7233
- Kishore, K.¹ Asmus, K.-D.²

40
- 0012336917
- (1988) J. Am. Chem. Soc. , vol.110 , pp. 4931
- Gill, P.M.W.¹ Radom, L.²

41
- 0000253039
- (1990) Chem. Phys. Lett. , vol.165 , pp. 265
- McKee, M.L.¹

42
- 0000534337
- (1992) J. Phys. Chem. , vol.96 , pp. 1675
- McKee, M.L.¹

43
- 0027857993
- (1993) J. Am. Chem. Soc. , vol.115 , pp. 12510
- Ekern, S.¹ Illies, A.² McKee, M.L.³ Peschke, M.⁴

44
- 0000042449
- and references therein
- (1995) J. Am. Chem. Soc. , vol.117 , pp. 9003
- Hiberty, P.C.¹ Humbel, S.² Danovich, D.³ Shaik, S.⁴

45
- 0000841587
- (1997) J. Phys. Chem. A , vol.101 , pp. 7923
- Bally, T.¹ Narahari, S.²

46
- 0000456616
- (1998) J. Phys. Chem. A , vol.102 , pp. 7872
- Braïda, B.¹ Savin, A.² Hiberty, P.C.³

47
- 0000045569
- (2000) J. Phys. Chem. A , vol.104 , pp. 4618
- Braïda, B.¹ Hiberty, P.C.²

48
- 0000438332
- (1998) J. Chem. Phys. , vol.109 , pp. 2604
- Zhang, Y.¹ Yang, W.²

49
- 0001518498
- (1998) J. Phys. Chem. A , vol.103 , pp. 166
- Sodupe, M.¹ Bertran, J.² Rodriguez-Santiago, L.³ Baerends, E.J.⁴

50
- 4243783335
- (1995) Chem. Phys. Lett. , vol.247 , pp. 126
- Humbel, S.¹ Demachy, I.² Hiberty, P.C.³

51
- 5244265007
- and references therein
- (1978) Mol. Phys. , vol.35 , pp. 445
- Paldus, J.¹ Veillard, A.²

52
- 0002988985
- and references therein
- (1989) Chem. Phys. , vol.133 , pp. 11
- Allen, W.D.¹ Horner, D.A.² Dekock, R.L.³ Remington, R.B.⁴ Schaefer III, H.F.⁵

53
- 0001315744
- (1991) Chem. Phys: Lett. , vol.186 , pp. 346
- Horner, D.A.¹ Allen, W.D.² Csaszar, A.G.³

54
- 36449006655
- (1991) J. Chem. Phys. , vol.95 , pp. 7466
- Burton, N.A.¹ Yamaguchi, Y.² Alberts, I.L.³ Schaefer III, H.F.⁴

55
- 0000328284
- (1985) J. Chem. Phys. , vol.83 , pp. 3567
- McLean, A.D.¹ Lengsfield III, B.H.² Pacansky, J.³ Ellinger, Y.⁴

56
- 33845550999
- (1983) J. Am. Chem. Soc. , vol.105 , pp. 1459
- Feller, D.¹ Huyser, E.² Borden, W.T.³ Davidson, E.R.⁴

57
- 0000944037
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 882
- Rauk, A.¹ Yu, D.² Armstrong, D.A.³

58
- 0000747710
- (1983) J. Chem. Phys. , vol.78 , pp. 3097
- Engelbrecht, L.¹ Liu, B.²

59
- 36749113335
- (1976) J. Chem. Phys. , vol.64 , pp. 2908
- Jackels, C.F.¹ Davidson, E.R.²

60
- 43949150935
- (1994) Chem. Phys. Lett. , vol.223 , pp. 207
- Barnes, L.A.¹ Lindh, R.²

61
- 36449006663
- (1994) J. Chem. Phys. , vol.100 , pp. 224
- Lindh, R.¹ Barnes, L.A.²

62
- 0000458644
- (1998) J. Chem. Phys. , vol.109 , pp. 4171
- Sherrill, C.D.¹ Krylov, A.I.² Byrd, E.F.C.³ Head-Gordon, M.⁴

63
- 5644303339
- (1996) J. Chem. Phys. , vol.104 , pp. 7615
- Xie, Y.¹ Allen, W.D.² Yamaguchi, Y.³ Schaefer III, H.F.⁴

64
- 0001667760
- (1997) J. Chem. Phys. , vol.106 , pp. 4877
- Hrusak, J.¹ Iwata, S.²

65
- 0000620745
- (1992) J. Chem. Phys. , vol.97 , pp. 5554
- Stanton, J.F.¹ Gauss, J.² Bartlett, R.J.³

66
- 0001245731
- (1994) J. Phys. Chem. , vol.98 , pp. 11697
- Hiberty, P.C.¹ Humbel, S.² Archirel, P.³

67
- 0001734964
- (1981) Chem. Phys. , vol.57 , pp. 253
- Voter, A.F.¹ Goddard III, W.A.²

68
- 0001062778
- (1981) J. Chem. Phys. , vol.75 , pp. 3638

69
- 0001310846
- (1986) J. Am. Chem. Soc. , vol.108 , pp. 2830

70
- 0001568969
- (1993) J. Chem. Phys. , vol.99 , pp. 1207
- Hollauer, E.¹ Nascimento, M.A.C.²

71
- 36549100056
- (1988) J. Chem. Phys. , vol.89 , pp. 4246
- Baushlicher C.W., Jr.¹ Langhoff, S.R.²

72
- 0004211513
- (1990) Chem. Phys. Lett. , vol.172 , pp. 163
- De Meras, A.S.¹ Lepetit, M.-B.² Malrieu, J.-P.³

73
- 36849099559
- (1972) J. Chem. Phys. , vol.57 , pp. 4928
- Docken, K.K.¹ Hinze, J.²

74
- 36749108391
- (1981) J. Chem. Phys. , vol.74 , pp. 5794
- Wermer, H.-J.¹ Meyer, W.²

75
- 0000513148
- (1981) J. Chem. Phys. , vol.74 , pp. 5802

76
- 0000253352
- (1994) Chem. Phys. Lett. , vol.228 , pp. 458
- Zaitsevskii, A.¹ Malrieu, J.-P.²

77
- 0001542602
- (1997) J. Chem. Phys. , vol.107 , pp. 10626
- Crawford, T.D.¹ Stanton, J.F.² Allen, W.D.³ Schaefer III, H.F.⁴

78
- 0001163431
- (1999) J. Chem. Phys. , vol.111 , pp. 8838
- Asmis, K.R.¹ Taylor, T.R.² Neumark, D.M.³

79
- 0000584708
- (1954) Phys. Rev. , vol.96 , pp. 508
- Bruckner, K.A.¹

80
- 0000898594
- (1981) J. Chem. Phys. , vol.74 , pp. 4544
- Chiles, R.A.¹ Dykstra, C.E.²

81
- 0002745201
- (1992) Chem. Phys. Lett. , vol.190 , pp. 1
- Hampel, C.¹ Peterson, K.A.² Werner, H.-J.³

82
- 0002419097
- edited by K. Lipkowitz and D. D. Boyd (VCH, New York), Chap. 2
- (1999) Reviews in Computational Chemistry , vol.14 , pp. 33-136
- Crawford, D.T.¹ Schaefer III, H.F.²

83
- 0001126914
- (1989) Chem. Phys. Lett. , vol.164 , pp. 185
- Handy, N.C.¹ Pople, J.A.² Head-Gordon, M.³ Raghavachari, K.⁴ Trucks, G.W.⁵

84
- 5644303339
- (1996) J. Chem. Phys. , vol.104 , pp. 7615
- Xie, Y.¹ Allen, W.D.² Yamaguchi, Y.³ Schaefer III, H.F.⁴

85
- 0001608093
- (2000) J. Chem. Phys. , vol.112 , pp. 7873
- Crawford, T.D.¹ Stanton, J.F.²

86
- 3843146349
- (1993) J. Chem. Phys. , vol.98 , pp. 1358
- Woon, D.E.¹ Dunning T.H., Jr.²

87
- 34250817103
- (1993) J. Chem. Phys. , vol.98 , pp. 1372
- Becke, A.D.¹

88
- 0004133516
- Gaussian, Inc., Pittsburgh, Pennsylvania
- (1995) GAUSSIAN 94
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³

89
- 0003394271
- with contributions from R. D. Amos, A. Bernhardsson, A. Berning et al.
- MOLPRO is a package of ab initio programs
- Werner, H.-J.¹ Knowles, P.J.²

90
- 0001257408
- (1998) J. Chem. Phys. , vol.108 , pp. 7560
- Ayala, P.Y.¹ Schlegel, H.B.²

91
- 84990713479
- (1989) Int. J. Quantum Chem., Symp. , vol.23 , pp. 199
- Lee, T.J.¹ Taylor, P.R.²

92
- 33845561614
- (1979) Acc. Chem. Res. , vol.12 , pp. 436
- Asmus, K.-D.¹

93
- 0000194904
- (1986) J. Am. Chem. Soc. , vol.108 , pp. 3781
- Gerson, F.¹ Knöbel, J.² Buser, U.³ Vogel, E.⁴ Zehnder, M.⁵

94
- 0000441595
- (1988) J. Am. Chem. Soc. , vol.110 , pp. 971
- Dinnocenzo, J.P.¹ Banach, T.E.²

95
- 85045534350
- J. Chem. Soc., Perkin Trans.2 , vol.1995 , pp. 383
- Chaudhri, S.A.¹ Mohan, H.² Anklam, E.³ Asmus, K.-D.⁴

96
- 0034293939
- (2000) J. Phys. Chem. A , vol.104 , pp. 9646
- Kishore, K.¹ Anklam, E.² Aced, A.³ Asmus, K.-D.⁴

97
- 3343000028
- (1993) Chem. Phys. Lett. , vol.214 , pp. 481
- Szalay, P.G.¹ Bartlett, R.J.²

98
- 34347354625
- (1995) J. Chem. Phys. , vol.103 , pp. 3600
- Szalay, P.G.¹ Bartlett, R.J.²

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