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Journal of Physical Chemistry A

Volumn 103, Issue 5, 1999, Pages 585-591

Density Functional Study on the Structures and Energies of the Ti2C2 Cluster

(2) Sumathi, R a Hendrickx, M a

a UNIVERSITY OF LEUVEN (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001118955 PISSN: 10895639 EISSN: None Source Type: Journal
DOI: 10.1021/jp982776g Document Type: Article

Times cited : (15)

References (88)

1
- 0007790704
- Guo, B. C.; Kerns, K. P.; Castleman, A. W., Jr. Science 1992, 255, 1411.
- (1992) Science , vol.255 , pp. 1411
- Guo, B.C.¹ Kerns, K.P.² Castleman A.W., Jr.³

2
- 0000175358
- Guo, B. C.; Wei, S.; Purnell, J.; Buzza, S. A.; Castleman, A. W., Jr. Science 1992, 256, 515.
- (1992) Science , vol.256 , pp. 515
- Guo, B.C.¹ Wei, S.² Purnell, J.³ Buzza, S.A.⁴ Castleman A.W., Jr.⁵

3
- 0000786519
- (a) Wei, S.; Guo, B. C.; Purnell, J.; Buzza, S.; Castleman, A. W., Jr. Science 1992, 256, 818.
- (1992) Science , vol.256 , pp. 818
- Wei, S.¹ Guo, B.C.² Purnell, J.³ Buzza, S.⁴ Castleman A.W., Jr.⁵

4
- 0011175079
- (b) Wei, S.; Castleman, A. W., Jr. Chem. Phys. Lett. 1994, 227, 305.
- (1994) Chem. Phys. Lett. , vol.227 , pp. 305
- Wei, S.¹ Castleman A.W., Jr.²

5
- 0347703464
- (a) Wei, S.; Guo, B. C.; Purnell, J.; Buzza, S.; Castleman, A. W., Jr. J. Phys. Chem. 1992, 96, 4166.
- (1992) J. Phys. Chem. , vol.96 , pp. 4166
- Wei, S.¹ Guo, B.C.² Purnell, J.³ Buzza, S.⁴ Castleman A.W., Jr.⁵

6
- 0000389441
- (b) May, B. D.; Cartier, S. F.; Castleman, A. W., Jr. Chem. Phys. Lett. 1995, 242, 265.
- (1995) Chem. Phys. Lett. , vol.242 , pp. 265
- May, B.D.¹ Cartier, S.F.² Castleman A.W., Jr.³

7
- 0004646232
- Guo, B. C.; Kerns, K. P.; Castleman, A. W., Jr. J. Am. Chem. Soc. 1993, 115, 7415.
- (1993) J. Am. Chem. Soc. , vol.115 , pp. 7415
- Guo, B.C.¹ Kerns, K.P.² Castleman A.W., Jr.³

8
- 0001767295
- Guo, B. C.; Wei, S.; Chen, Z.; Kerns, K. P.; Purnell, J.; Buzza, S.; Castleman, A. W., Jr. J. Chem. Phys. 1992, 97, 5243.
- (1992) J. Chem. Phys. , vol.97 , pp. 5243
- Guo, B.C.¹ Wei, S.² Chen, Z.³ Kerns, K.P.⁴ Purnell, J.⁵ Buzza, S.⁶ Castleman A.W., Jr.⁷

9
- 0000095871
- Chen, Z. Y.; Guo, B. C.; May, B. D.; Cartier, S. F.; Castleman, A. W., Jr. Chem. Phys. Lett. 1992, 198, 118.
- (1992) Chem. Phys. Lett. , vol.198 , pp. 118
- Chen, Z.Y.¹ Guo, B.C.² May, B.D.³ Cartier, S.F.⁴ Castleman A.W., Jr.⁵

10
- 33751386198
- Wei, S.; Guo, B. C.; Purnell, J.; Buzza, S. A.; Castleman, A. W., Jr. J. Phys. Chem. 1993, 97, 9559.
- (1993) J. Phys. Chem. , vol.97 , pp. 9559
- Wei, S.¹ Guo, B.C.² Purnell, J.³ Buzza, S.A.⁴ Castleman A.W., Jr.⁵

11
- 0011639833
- Kerns, K. P.; Guo, B. C.; Deng, H. T.; Castleman, A. W., Jr. J. Chem. Phys. 1994, 101, 8529.
- (1994) J. Chem. Phys. , vol.101 , pp. 8529
- Kerns, K.P.¹ Guo, B.C.² Deng, H.T.³ Castleman A.W., Jr.⁴

12
- 0001609462
- Cartier, S. F.; Chen, Z. Y.; Walder, G. J.; Sleppy, C. R.; Castleman, A. W., Jr. Science 1993, 260, 195.
- (1993) Science , vol.260 , pp. 195
- Cartier, S.F.¹ Chen, Z.Y.² Walder, G.J.³ Sleppy, C.R.⁴ Castleman A.W., Jr.⁵

13
- 0011577399
- Cartier, S. F.; May, B. D.; Toleno, B. J.; Puraell, J.; Wei, S.; Castleman, A. W., Jr. Chem. Phys. Lett. 1994, 220, 23.
- (1994) Chem. Phys. Lett. , vol.220 , pp. 23
- Cartier, S.F.¹ May, B.D.² Toleno, B.J.³ Puraell, J.⁴ Wei, S.⁵ Castleman A.W., Jr.⁶

14
- 0028441770
- Wei, S.; Guo, B. C.; Deng, H. T.; Kerns, K. P.; Purnell, J.; Buzza, S. A.; Castleman, A. W., Jr. J. Am. Chem. Soc. 1994, 116, 4475.
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 4475
- Wei, S.¹ Guo, B.C.² Deng, H.T.³ Kerns, K.P.⁴ Purnell, J.⁵ Buzza, S.A.⁶ Castleman A.W., Jr.⁷

15
- 33746421496
- (a) Cartier, S. F.; May, B. D.; Castleman, A. W., Jr. J. Chem. Phys. 1994, 100, 5384.
- (1994) J. Chem. Phys. , vol.100 , pp. 5384
- Cartier, S.F.¹ May, B.D.² Castleman A.W., Jr.³

16
- 0028459775
- (b) Cartier, S. F.; May, B. D.; Castleman, A. W., Jr. J. Am. Chem. Soc. 1994, 116, 5295.
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 5295
- Cartier, S.F.¹ May, B.D.² Castleman A.W., Jr.³

17
- 0013054849
- (c) Deng, H. T.; Guo, B. C.; Kerns, K. P.; Castleman, A. W., Jr. Int. J. Mass Spectrom. Ion Processes 1994, 138, 275.
- (1994) Int. J. Mass Spectrom. Ion Processes , vol.138 , pp. 275
- Deng, H.T.¹ Guo, B.C.² Kerns, K.P.³ Castleman A.W., Jr.⁴

18
- 0004019673
- Duncan, M. A., Ed.; JAI Press: Greenwich, CT
- Guo, B. C.; Castleman, A. W., Jr. In Advances in Metal and Semiconductor Clusters; Duncan, M. A., Ed.; JAI Press: Greenwich, CT, 1994; Vol. II.
- (1994) Advances in Metal and Semiconductor Clusters , vol.2
- Guo, B.C.¹ Castleman A.W., Jr.²

19
- 78751547064
- Pilgrim, J. S.; Duncan, M. A. J. Am. Chem. Soc. 1993, 115, 6958.
- (1993) J. Am. Chem. Soc. , vol.115 , pp. 6958
- Pilgrim, J.S.¹ Duncan, M.A.²

20
- 0001718096
- (a) Bowers, M. T. Acc. Chem. Res. 1994, 27, 324.
- (1994) Acc. Chem. Res. , vol.27 , pp. 324
- Bowers, M.T.¹

21
- 0000766276
- (b) von Helden, G.; Gotts, N. G.; Maitre, P.; Bowers, M. T. Chem. Phys. Lett. 1994, 227, 601.
- (1994) Chem. Phys. Lett. , vol.227 , pp. 601
- Von Helden, G.¹ Gotts, N.G.² Maitre, P.³ Bowers, M.T.⁴

22
- 0029246743
- (c) Lee, S.; Gotts, N. G.; von Helden, G.; Bowers, M. T. Science 1995, 267, 999.
- (1995) Science , vol.267 , pp. 999
- Lee, S.¹ Gotts, N.G.² Von Helden, G.³ Bowers, M.T.⁴

23
- 0026770275
- Pauling, L. Proc. Natl. Acad. Sci. U.S.A. 1992, 89, 8175.
- (1992) Proc. Natl. Acad. Sci. U.S.A. , vol.89 , pp. 8175
- Pauling, L.¹

24
- 0001552118
- (a) Lin, Z.; Hall, M. B. J. Am. Chem. Soc. 1992, 114, 10054.
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 10054
- Lin, Z.¹ Hall, M.B.²

25
- 0001516908
- (b) Lin, Z.; Hall, M. B. J. Am. Chem. Soc. 1993, 115, 11165.
- (1993) J. Am. Chem. Soc. , vol.115 , pp. 11165
- Lin, Z.¹ Hall, M.B.²

26
- 0000743480
- (a) Rohmer, M. M.; de Vaal, P.; Benard, M. J. Am. Chem. Soc. 1992, 114, 9696.
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 9696
- Rohmer, M.M.¹ De Vaal, P.² Benard, M.³

27
- 0043119968
- (b) Rohmer, M. M.; Henriet, C.; Bo, C.; Poblet, J. P. J. Chem. Soc., Chem. Commun. 1993, 1182.
- (1993) J. Chem. Soc., Chem. Commun. , pp. 1182
- Rohmer, M.M.¹ Henriet, C.² Bo, C.³ Poblet, J.P.⁴

28
- 0029207485
- (c) Rohmer, M. M.; Benard, M.; Bo. C.; Poblet, J. M. J. Am. Chem. Soc. 1995, 117, 508.
- (1995) J. Am. Chem. Soc. , vol.117 , pp. 508
- Rohmer, M.M.¹ Benard, M.² Bo, C.³ Poblet, J.M.⁴

29
- 0000312067
- Reddy, B. V.; Khanna, S. N.; Jena, P. Science 1992, 258, 1640.
- (1992) Science , vol.258 , pp. 1640
- Reddy, B.V.¹ Khanna, S.N.² Jena, P.³

30
- 33751385479
- Hay, P. J. J. Phys. Chem. 1993, 97, 3081.
- (1993) J. Phys. Chem. , vol.97 , pp. 3081
- Hay, P.J.¹

31
- 0000161982
- Reddy, B. V.; Khanna, S. N. Chem. Phys. Lett. 1993, 209, 104.
- (1993) Chem. Phys. Lett. , vol.209 , pp. 104
- Reddy, B.V.¹ Khanna, S.N.²

32
- 0001088284
- Chen, H.; Feyereisen, M.; Long, X. P.; Fitzgerald, G. Phys. Rev. Lett. 1993, 71, 1732.
- (1993) Phys. Rev. Lett. , vol.71 , pp. 1732
- Chen, H.¹ Feyereisen, M.² Long, X.P.³ Fitzgerald, G.⁴

33
- 85087221962
- Grimmes, R. W.; Gale, J. D. J. Phys. Chem. 1993, 97, 4616.
- (1993) J. Phys. Chem. , vol.97 , pp. 4616
- Grimmes, R.W.¹ Gale, J.D.²

34
- 0006717823
- Lou, L.; Guo, T.; Norlander, P.; Smalley, R. E. J. Chem. Phys. 1993, 99, 5301.
- (1993) J. Chem. Phys. , vol.99 , pp. 5301
- Lou, L.¹ Guo, T.² Norlander, P.³ Smalley, R.E.⁴

35
- 0000202149
- Khan, A. J. Phys. Chem. 1993, 97, 10937.
- (1993) J. Phys. Chem. , vol.97 , pp. 10937
- Khan, A.¹

36
- 37049071426
- (a) Dance, I. G. J. Chem. Soc., Chem. Commun. 1992, 1779.
- (1992) J. Chem. Soc., Chem. Commun. , pp. 1779
- Dance, I.G.¹

37
- 37049071002
- (b) Dance, I. G. J. Chem. Soc., Chem. Commun. 1993, 1306.
- (1993) J. Chem. Soc., Chem. Commun. , pp. 1306
- Dance, I.G.¹

38
- 0000340522
- (c) Dance, I. G. J. Am. Chem. Soc. 1993, 115, 11052.
- (1993) J. Am. Chem. Soc. , vol.115 , pp. 11052
- Dance, I.G.¹

39
- 0000067288
- Lou, L.; Nordlander, P. Chem. Phys. Lett. 1994, 224, 439.
- (1994) Chem. Phys. Lett. , vol.224 , pp. 439
- Lou, L.¹ Nordlander, P.²

40
- 0345811474
- Reddy, B. V.; Khanna, S. N. J. Phys. Chem. 1994, 98, 9446.
- (1994) J. Phys. Chem. , vol.98 , pp. 9446
- Reddy, B.V.¹ Khanna, S.N.²

41
- 0037536995
- Li, Z.; Gu, B.; Han, R.; Zheng, Q. Z. Phys. D 1993, 27, 275.
- (1993) Z. Phys. D , vol.27 , pp. 275
- Li, Z.¹ Gu, B.² Han, R.³ Zheng, Q.⁴

42
- 0029207485
- Rohmer, M. M.; Benard, M.; Bo, C.; Poblet, J. M. J. Am. Chem. Soc. 1995, 117, 508.
- (1995) J. Am. Chem. Soc. , vol.117 , pp. 508
- Rohmer, M.M.¹ Benard, M.² Bo, C.³ Poblet, J.M.⁴

43
- 0001204557
- Yeh, C. S.; Afzaal, S.; Lee, S. A.; Byun, Y.; Freiser, B. S. J. Am. Chem. Soc. 1994, 116, 8806.
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 8806
- Yeh, C.S.¹ Afzaal, S.² Lee, S.A.³ Byun, Y.⁴ Freiser, B.S.⁵

44
- 0030860957
- Li, S.; Wu, H.; Wang, L-S. J. Am. Chem. Soc. 1997, 119, 7417.
- (1997) J. Am. Chem. Soc. , vol.119 , pp. 7417
- Li, S.¹ Wu, H.² Wang, L.-S.³

45
- 0032495921
- Sumathi, R.; Hendrickx, M. Chem. Phys. Lett. 1998, 287, 496.
- (1998) Chem. Phys. Lett. , vol.287 , pp. 496
- Sumathi, R.¹ Hendrickx, M.²

46
- 0346704744
- Sumathi, R.; Hendrickx, M. J. Phys. Chem. 1998, 102, 496.
- (1998) J. Phys. Chem. , vol.102 , pp. 496
- Sumathi, R.¹ Hendrickx, M.²

47
- 0000097831
- Sumathi, R.; Hendrickx, M. J. Phys. Chem. 1998, 102, 7308.
- (1998) J. Phys. Chem. , vol.102 , pp. 7308
- Sumathi, R.¹ Hendrickx, M.²

48
- 0009485232
- (a) Lammertsma, K.; Güner, O. F.; Sudhakar, P. V. J. Chem. Phys. 1991, 94, 8105.
- (1991) J. Chem. Phys. , vol.94 , pp. 8105
- Lammertsma, K.¹ Güner, O.F.² Sudhakar, P.V.³

49
- 0346704739
- (b) Lammertsma, K.; Pople, J. A.; Schleyer, P.v.R. J. Am. Chem. Soc. 1986, 108, 7.
- (1986) J. Am. Chem. Soc. , vol.108 , pp. 7
- Lammertsma, K.¹ Pople, J.A.² Schleyer, P.V.R.³

50
- 36549101652
- (c) Ritchie, J. P.; King, H. F.; Young, W. S. J. Chem. Phys. 1986, 85, 5175.
- (1986) J. Chem. Phys. , vol.85 , pp. 5175
- Ritchie, J.P.¹ King, H.F.² Young, W.S.³

51
- 0000547813
- (d) Magers, D. H.; Harrison, R. J.; Bartlett, R. J. J. Chem. Phys. 1986, 84, 3284.
- (1986) J. Chem. Phys. , vol.84 , pp. 3284
- Magers, D.H.¹ Harrison, R.J.² Bartlett, R.J.³

52
- 0022697319
- (e) Rao, B. K.; Khanna, S. N.; Jena, P. Solid State Commun. 1986, 58, 53.
- (1986) Solid State Commun. , vol.58 , pp. 53
- Rao, B.K.¹ Khanna, S.N.² Jena, P.³

53
- 0009509354
- (f) Whiteside, R. A.; Krishnan, R.; DeFrees, D. J.; Pople, J. A.; Schleyer, P.v.R. Chem. Phys. Lett. 1981, 78, 538.
- (1981) Chem. Phys. Lett. , vol.78 , pp. 538
- Whiteside, R.A.¹ Krishnan, R.² Defrees, D.J.³ Pople, J.A.⁴ Schleyer, P.V.R.⁵

54
- 0000448873
- (a) Shen, L. N.; Graham, W. R. M. J. Chem. Phys. 1989, 91, 5115.
- (1989) J. Chem. Phys. , vol.91 , pp. 5115
- Shen, L.N.¹ Graham, W.R.M.²

55
- 36449005840
- (b) Health, J. R.; Saykally, R. J. J. Chem. Phys. 1991, 94, 3271.
- (1991) J. Chem. Phys. , vol.94 , pp. 3271
- Health, J.R.¹ Saykally, R.J.²

56
- 36449002559
- (c) Kranze, R. H.; Graham, W. R. M. J. Chem. Phys. 1991, 96, 2517.
- (1991) J. Chem. Phys. , vol.96 , pp. 2517
- Kranze, R.H.¹ Graham, W.R.M.²

57
- 0001146030
- (a) Zajfman, D.; Feldmaa, H.; Heber, O.; Kella, D.; Majer, D.; Vager, Z.; Nalaman, R. Science 1992, 258, 1129.
- (1992) Science , vol.258 , pp. 1129
- Zajfman, D.¹ Feldmaa, H.² Heber, O.³ Kella, D.⁴ Majer, D.⁵ Vager, Z.⁶ Nalaman, R.⁷

58
- 1442347460
- (b) Kella, D.; Zajfman, D.; Heber, O.; Majer, D.; Feldman, H.; Vager, Z.; Nalaman, R. Z. Phys. D 1993, 26, 340.
- (1993) Z. Phys. D , vol.26 , pp. 340
- Kella, D.¹ Zajfman, D.² Heber, O.³ Majer, D.⁴ Feldman, H.⁵ Vager, Z.⁶ Nalaman, R.⁷

59
- 33750669493
- Arnold, D. W.; Bradforth, S. E.; Kitsopoulos, T. N.; Neumark, D. M. J. Chem. Phys. 1991, 95, 8753.
- (1991) J. Chem. Phys. , vol.95 , pp. 8753
- Arnold, D.W.¹ Bradforth, S.E.² Kitsopoulos, T.N.³ Neumark, D.M.⁴

60
- 36549102291
- (a) Martin, J. M. L.; Francois, J. P.; Gijbels, R. J. Chem. Phys. 1990, 93, 8850.
- (1990) J. Chem. Phys. , vol.93 , pp. 8850
- Martin, J.M.L.¹ Francois, J.P.² Gijbels, R.³

61
- 0009517360
- (b) Martin, J. M. L.; Francois, J. P.; Gijbels, R. J. Chem. Phys. 1991, 94, 3753.
- (1991) J. Chem. Phys. , vol.94 , pp. 3753
- Martin, J.M.L.¹ Francois, J.P.² Gijbels, R.³

62
- 0000907143
- (c) Martin, J. M. L.; Schwenke, D. W.; Lee, T. J.; Taylor, P. R. J. Chem. Phys. 1996, 104, 4657.
- (1996) J. Chem. Phys. , vol.104 , pp. 4657
- Martin, J.M.L.¹ Schwenke, D.W.² Lee, T.J.³ Taylor, P.R.⁴

63
- 36549095347
- (a) Raghavachari, K. J. Chem. Phys. 1986, 84, 5672.
- (1986) J. Chem. Phys. , vol.84 , pp. 5672
- Raghavachari, K.¹

64
- 3343000273
- (b) Raghavachari, K.; Logovinsky, V. Phys. Rev. Lett. 1985, 55, 2853.
- (1985) Phys. Rev. Lett. , vol.55 , pp. 2853
- Raghavachari, K.¹ Logovinsky, V.²

65
- 36549095285
- Alberts, I. L.; Grev, R. S.; Schaefer, H. F., III. J. Chem. Phys. 1990, 93, 5046.
- (1990) J. Chem. Phys. , vol.93 , pp. 5046
- Alberts, I.L.¹ Grev, R.S.² Schaefer H.F. III³

66
- 0001305576
- (a) Lammertsma, K.; Güner, O. F. J. Am. Chem. Soc. 1988, 110, 5239.
- (1988) J. Am. Chem. Soc. , vol.110 , pp. 5239
- Lammertsma, K.¹ Güner, O.F.²

67
- 0012040190
- (b) Sudhakar, P. V.; Güner, O. F.; Lammertsma, K. J. Phys. Chem. 1989, 93, 7289.
- (1989) J. Phys. Chem. , vol.93 , pp. 7289
- Sudhakar, P.V.¹ Güner, O.F.² Lammertsma, K.³

68
- 0345811474
- Reddy, B. V.; Khanna, S. N. J. Phys. Chem. 1994, 98, 9446.
- (1994) J. Phys. Chem. , vol.98 , pp. 9446
- Reddy, B.V.¹ Khanna, S.N.²

69
- 0000189651
- Becke, A. D. J. Chem. Phys. 1993, 98, 5648.
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

70
- 0345491105
- Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
- (1988) Phys. Rev. B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

71
- 0012251538
- IBM Corp.: Almaden, CA
- Rice, J. E.; Horn, H.; Lengsfiels, B. H.; McLean, A. D.; Carter, J. T.; Replogle, E. S.; Barnes, L. A.; Maluender, S. A.; Lie, G. C.; Gutwski, M.; Rude, W. E.; Sauer, S. P. A.; Lindh, R.; Anderson, K.; Chevalier, T. S.; Widmark, P.-O.; Bouzida, D.; Pacansky, G.; Singh, K.; Gillan, C. J.; Carnevali, P.; Swope, W. C.; Liu, B. Mulliken Version 2.25b, internal release; IBM Corp.: Almaden, CA. 1995.
- (1995) Mulliken Version 2.25b, Internal Release
- Rice, J.E.¹ Horn, H.² Lengsfiels, B.H.³ McLean, A.D.⁴ Carter, J.T.⁵ Replogle, E.S.⁶ Barnes, L.A.⁷ Maluender, S.A.⁸ Lie, G.C.⁹ Gutwski, M.¹⁰ Rude, W.E.¹¹ Sauer, S.P.A.¹² Lindh, R.¹³ Anderson, K.¹⁴ Chevalier, T.S.¹⁵ Widmark, P.-O.¹⁶ Bouzida, D.¹⁷ Pacansky, G.¹⁸ Singh, K.¹⁹ Gillan, C.J.²⁰ more..

72
- 0004133516
- Gaussian Inc.: Pittsburgh, PA
- Frisch, M. J.; Trucks, G. W.; Head-Gordon, M.; Gill, P. M. W.; Wong, M. W.; Foresman, J. B.; Johnson, B. G.; Schlegel, H. B.; Robb, M. A.; Replogle, E. S.; Gomperts, R.; Andres, J. L.; Raghavachari, K.; Binkley, J. S.; Gonzalez, C.; Martin, R. J.; Fox, D. J.; Defrees, D. J.; Baker, J.; Stewart, J. J. P.; Pople, J. A. Gaussian 94; Gaussian Inc.: Pittsburgh, PA, 1994.
- (1994) Gaussian 94
- 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.J.¹⁶ Fox, D.J.¹⁷ Defrees, D.J.¹⁸ Baker, J.¹⁹ Stewart, J.J.P.²⁰ Pople, J.A.²¹ more..

73
- 0010801821
- Biosym Technologies Inc.: San Diego
- TURBOMOLE, Version 2.3.5.; Biosym Technologies Inc.: San Diego. 1994.
- (1994) TURBOMOLE, Version 2.3.5

74
- 25744464535
- Hertwig, R. H.; Koch, W. Chem. Phys. Lett. 1997, 268, 1997.
- (1997) Chem. Phys. Lett. , vol.268 , pp. 1997
- Hertwig, R.H.¹ Koch, W.²

75
- 0000216001
- Vosko, S. H.; Wilk, L.; Nusair, M. Can. J. Phys. 1980, 58, 1200.
- (1980) Can. J. Phys. , vol.58 , pp. 1200
- Vosko, S.H.¹ Wilk, L.² Nusair, M.³

76
- 33645898818
- Perdew, J. P.; Wang, Y. Phys. Rev. B 1992, 45, 13244.
- (1992) Phys. Rev. B , vol.45 , pp. 13244
- Perdew, J.P.¹ Wang, Y.²

77
- 0005867244
- Wachters, A. J. H. J. Chem. Phys. 1970, 52, 1033. Wachters, A. J. H. IBM Tech. Rep. RJ584, 1969.
- (1970) J. Chem. Phys. , vol.52 , pp. 1033
- Wachters, A.J.H.¹

78
- 0005867244
- Wachters, A. J. H. J. Chem. Phys. 1970, 52, 1033. Wachters, A. J. H. IBM Tech. Rep. RJ584, 1969.
- (1969) IBM Tech. Rep. RJ584
- Wachters, A.J.H.¹

79
- 10144223417
- Hay, P. J. J. Chem. Phys. 1977, 66, 4377.
- (1977) J. Chem. Phys. , vol.66 , pp. 4377
- Hay, P.J.¹

80
- 36549099730
- Bauschlicher, C. W., Jr.; Langhoff, S. R.; Barnes, L. A. J. Chem. Phys. 1989, 91, 2399.
- (1989) J. Chem. Phys. , vol.91 , pp. 2399
- Bauschlicher C.W., Jr.¹ Langhoff, S.R.² Barnes, L.A.³

81
- 36849097975
- Stewart, R. F. J. Chem. Phys. 1970, 52, 431.
- (1970) J. Chem. Phys. , vol.52 , pp. 431
- Stewart, R.F.¹

82
- 0347335136
- note
- MOLPRO is a package of ab initio computer packages written by H.-J. Werner and P. J. Knowles with contributions from J. AlmÖf, R. D. Amos, S. Elbert, W. Meyer, E. A. Reinsch, R. Pitzer, and A. J. Stone.

83
- 0000957643
- (a) Hack, M. D.; Maclagan, R. G. A. R.; Scuseria, G. E.; Gordon, M. S. J. Chem. Phys. 1996, 104, 6628.
- (1996) J. Chem. Phys. , vol.104 , pp. 6628
- Hack, M.D.¹ Maclagan, R.G.A.R.² Scuseria, G.E.³ Gordon, M.S.⁴

84
- 0001006514
- (b) Bauschlicher, C. W.; Sigbahn, P. E. M. Chem. Phys. Lett. 1984, 104, 331.
- (1984) Chem. Phys. Lett. , vol.104 , pp. 331
- Bauschlicher, C.W.¹ Sigbahn, P.E.M.²

85
- 36549096208
- Bernholdt, D. H.; Magers, D. H.; Bartlett, R. J. J. Chem. Phys. 1988, 88, 3612.
- (1988) J. Chem. Phys. , vol.88 , pp. 3612
- Bernholdt, D.H.¹ Magers, D.H.² Bartlett, R.J.³

86
- 0003998388
- Weast, R. C., Ed.; CRC Press: Boca Raton, FL
- CRC Handbook of Chemistry and Physics. 63rd ed.; Weast, R. C., Ed.; CRC Press: Boca Raton, FL, 1983.
- (1983) CRC Handbook of Chemistry and Physics. 63rd Ed.

87
- 0346704738
- Unpublished results
- Sumathi, R.; Hendrickx, M. Unpublished results.
- Sumathi, R.¹ Hendrickx, M.²

88
- 0347965400
- Lammertsma, K. J. Am. Chem. Soc. 1986, 108, 5127.
- (1986) J. Am. Chem. Soc. , vol.108 , pp. 5127
- Lammertsma, K.¹

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