SCOPUS 정보 검색 플랫폼

Journal of Chemical Physics

Volumn 108, Issue 17, 1998, Pages 7190-7196

The equilibrium structure and fundamental vibrational frequencies of dioxirane

(3) Stanton, John F a Lopreore, Courtney L a Gauss, Jürgen b

a UNIVERSITY OF TEXAS AT AUSTIN (United States)

b JOHANNES GUTENBERG UNIVERSITY (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001717342 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.476136 Document Type: Article

Times cited : (258)

References (57)

1
- 0001657659
- T.-K. Ha, H. Kühne, S. Vaccani. and H. H. Günthard, Chem. Phys. Lett. 24, 172 (1974).
- (1974) Chem. Phys. Lett. , vol.24 , pp. 172
- Ha, T.-K.¹ Kühne, H.² Vaccani, S.³ Günthard, H.H.⁴

2
- 0001497320
- W. R. Wadt and W. A. Goddard, J. Am. Chem. Soc. 97, 3004 (1975).
- (1975) J. Am. Chem. Soc. , vol.97 , pp. 3004
- Wadt, W.R.¹ Goddard, W.A.²

3
- 0006854504
- R. I. Martinez, R. E. Huie, and J. R. Herron, Chem. Phys. Lett. 51, 457 (1977).
- (1977) Chem. Phys. Lett. , vol.51 , pp. 457
- Martinez, R.I.¹ Huie, R.E.² Herron, J.R.³

4
- 0001096308
- F. J. Lovas and R. D. Suenram, Chem. Phys. Lett. 51, 453 (1977).
- (1977) Chem. Phys. Lett. , vol.51 , pp. 453
- Lovas, F.J.¹ Suenram, R.D.²

5
- 0001597741
- R. D. Suenram and F. J. Lovas, J. Am. Chem. Soc. 100, 5117 (1978).
- (1978) J. Am. Chem. Soc. , vol.100 , pp. 5117
- Suenram, R.D.¹ Lovas, F.J.²

6
- 0040496123
- J. R. Sodeau and L. J. Whyte, J. Chem. Soc., Faraday Trans. 87, 3725 (1991).
- (1991) J. Chem. Soc., Faraday Trans. , vol.87 , pp. 3725
- Sodeau, J.R.¹ Whyte, L.J.²

7
- 0011569373
- D. Cremer, J. Am. Chem. Soc. 101, 7189 (1979): D. Cremer, The Chemistry of Functional Groups, Peroxides, edited by S. Patai (Wiley, New York, 1983), p. 1; J. Am. Chem. Soc. 103, 3619, 3627, 3633 (1981); Angew. Chem. Int. Ed. Engl. 27, 427 (1988); J. Gauss and D. Cremer, Chem. Phys. Lett. 133, 420 (1987); D. Cremer, T. Schmidt, J. Gauss, and T. P. Radhakrishnan, Angew. Chem. Int. Ed. Engl. 27, 427 (1988); J. Gauss and D. Cremer, Chem. Phys. Lett. 163, 549 (1989); D. Cremer, T. Schmidt, W. Sander, and P. Bischof. J. Org. Chem. 54, 2515 (1989).
- (1979) J. Am. Chem. Soc. , vol.101 , pp. 7189
- Cremer, D.¹

8
- 0007703484
- edited by S. Patai Wiley, New York
- D. Cremer, J. Am. Chem. Soc. 101, 7189 (1979): D. Cremer, The Chemistry of Functional Groups, Peroxides, edited by S. Patai (Wiley, New York, 1983), p. 1; J. Am. Chem. Soc. 103, 3619, 3627, 3633 (1981); Angew. Chem. Int. Ed. Engl. 27, 427 (1988); J. Gauss and D. Cremer, Chem. Phys. Lett. 133, 420 (1987); D. Cremer, T. Schmidt, J. Gauss, and T. P. Radhakrishnan, Angew. Chem. Int. Ed. Engl. 27, 427 (1988); J. Gauss and D. Cremer, Chem. Phys. Lett. 163, 549 (1989); D. Cremer, T. Schmidt, W. Sander, and P. Bischof. J. Org. Chem. 54, 2515 (1989).
- (1983) The Chemistry of Functional Groups, Peroxides , pp. 1
- Cremer, D.¹

9
- 0001473438
- D. Cremer, J. Am. Chem. Soc. 101, 7189 (1979): D. Cremer, The Chemistry of Functional Groups, Peroxides, edited by S. Patai (Wiley, New York, 1983), p. 1; J. Am. Chem. Soc. 103, 3619, 3627, 3633 (1981); Angew. Chem. Int. Ed. Engl. 27, 427 (1988); J. Gauss and D. Cremer, Chem. Phys. Lett. 133, 420 (1987); D. Cremer, T. Schmidt, J. Gauss, and T. P. Radhakrishnan, Angew. Chem. Int. Ed. Engl. 27, 427 (1988); J. Gauss and D. Cremer, Chem. Phys. Lett. 163, 549 (1989); D. Cremer, T. Schmidt, W. Sander, and P. Bischof. J. Org. Chem. 54, 2515 (1989).
- (1981) J. Am. Chem. Soc. , vol.103 , pp. 3619

10
- 84990158076
- D. Cremer, J. Am. Chem. Soc. 101, 7189 (1979): D. Cremer, The Chemistry of Functional Groups, Peroxides, edited by S. Patai (Wiley, New York, 1983), p. 1; J. Am. Chem. Soc. 103, 3619, 3627, 3633 (1981); Angew. Chem. Int. Ed. Engl. 27, 427 (1988); J. Gauss and D. Cremer, Chem. Phys. Lett. 133, 420 (1987); D. Cremer, T. Schmidt, J. Gauss, and T. P. Radhakrishnan, Angew. Chem. Int. Ed. Engl. 27, 427 (1988); J. Gauss and D. Cremer, Chem. Phys. Lett. 163, 549 (1989); D. Cremer, T. Schmidt, W. Sander, and P. Bischof. J. Org. Chem. 54, 2515 (1989).
- (1988) Angew. Chem. Int. Ed. Engl. , vol.27 , pp. 427

11
- 0001499933
- D. Cremer, J. Am. Chem. Soc. 101, 7189 (1979): D. Cremer, The Chemistry of Functional Groups, Peroxides, edited by S. Patai (Wiley, New York, 1983), p. 1; J. Am. Chem. Soc. 103, 3619, 3627, 3633 (1981); Angew. Chem. Int. Ed. Engl. 27, 427 (1988); J. Gauss and D. Cremer, Chem. Phys. Lett. 133, 420 (1987); D. Cremer, T. Schmidt, J. Gauss, and T. P. Radhakrishnan, Angew. Chem. Int. Ed. Engl. 27, 427 (1988); J. Gauss and D. Cremer, Chem. Phys. Lett. 163, 549 (1989); D. Cremer, T. Schmidt, W. Sander, and P. Bischof. J. Org. Chem. 54, 2515 (1989).
- (1987) Chem. Phys. Lett. , vol.133 , pp. 420
- Gauss, J.¹ Cremer, D.²

12
- 84990158076
- D. Cremer, J. Am. Chem. Soc. 101, 7189 (1979): D. Cremer, The Chemistry of Functional Groups, Peroxides, edited by S. Patai (Wiley, New York, 1983), p. 1; J. Am. Chem. Soc. 103, 3619, 3627, 3633 (1981); Angew. Chem. Int. Ed. Engl. 27, 427 (1988); J. Gauss and D. Cremer, Chem. Phys. Lett. 133, 420 (1987); D. Cremer, T. Schmidt, J. Gauss, and T. P. Radhakrishnan, Angew. Chem. Int. Ed. Engl. 27, 427 (1988); J. Gauss and D. Cremer, Chem. Phys. Lett. 163, 549 (1989); D. Cremer, T. Schmidt, W. Sander, and P. Bischof. J. Org. Chem. 54, 2515 (1989).
- (1988) Angew. Chem. Int. Ed. Engl. , vol.27 , pp. 427
- Cremer, D.¹ Schmidt, T.² Gauss, J.³ Radhakrishnan, T.P.⁴

13
- 4244146990
- D. Cremer, J. Am. Chem. Soc. 101, 7189 (1979): D. Cremer, The Chemistry of Functional Groups, Peroxides, edited by S. Patai (Wiley, New York, 1983), p. 1; J. Am. Chem. Soc. 103, 3619, 3627, 3633 (1981); Angew. Chem. Int. Ed. Engl. 27, 427 (1988); J. Gauss and D. Cremer, Chem. Phys. Lett. 133, 420 (1987); D. Cremer, T. Schmidt, J. Gauss, and T. P. Radhakrishnan, Angew. Chem. Int. Ed. Engl. 27, 427 (1988); J. Gauss and D. Cremer, Chem. Phys. Lett. 163, 549 (1989); D. Cremer, T. Schmidt, W. Sander, and P. Bischof. J. Org. Chem. 54, 2515 (1989).
- (1989) Chem. Phys. Lett. , vol.163 , pp. 549
- Gauss, J.¹ Cremer, D.²

14
- 0000091412
- D. Cremer, J. Am. Chem. Soc. 101, 7189 (1979): D. Cremer, The Chemistry of Functional Groups, Peroxides, edited by S. Patai (Wiley, New York, 1983), p. 1; J. Am. Chem. Soc. 103, 3619, 3627, 3633 (1981); Angew. Chem. Int. Ed. Engl. 27, 427 (1988); J. Gauss and D. Cremer, Chem. Phys. Lett. 133, 420 (1987); D. Cremer, T. Schmidt, J. Gauss, and T. P. Radhakrishnan, Angew. Chem. Int. Ed. Engl. 27, 427 (1988); J. Gauss and D. Cremer, Chem. Phys. Lett. 163, 549 (1989); D. Cremer, T. Schmidt, W. Sander, and P. Bischof. J. Org. Chem. 54, 2515 (1989).
- (1989) J. Org. Chem. , vol.54 , pp. 2515
- Cremer, D.¹ Schmidt, T.² Sander, W.³ Bischof, P.⁴

15
- 0000910458
- D. Cremer, J. Gauss, E. Kraka, J. F. Stanton, and R. J. Bartlett, Chem. Phys. Lett. 209, 547 (1993).
- (1993) Chem. Phys. Lett. , vol.209 , pp. 547
- Cremer, D.¹ Gauss, J.² Kraka, E.³ Stanton, J.F.⁴ Bartlett, R.J.⁵

16
- 46549104389
- J. S. Francisco and I. H. Williams, Chem. Phys. 95, 71 (1985).
- (1985) Chem. Phys. , vol.95 , pp. 71
- Francisco, J.S.¹ Williams, I.H.²

17
- 0001564432
- R. D. Bach, J. L. Andres, A. L. Owensby, H. B. Schlegel, and J. J. W. McDouall, J. Am. Chem. Soc. 114, 7207 (1992).
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 7207
- Bach, R.D.¹ Andres, J.L.² Owensby, A.L.³ Schlegel, H.B.⁴ McDouall, J.J.W.⁵

18
- 0000621625
- M. Cantos, M. Merchan, F. Tomas-Vert, and B. O. Roos, Chem. Phys. Lett. 229, 181 (1994).
- (1994) Chem. Phys. Lett. , vol.229 , pp. 181
- Cantos, M.¹ Merchan, M.² Tomas-Vert, F.³ Roos, B.O.⁴

19
- 0002987716
- S.-J. Kim, H. F. Schaefer, E. Kraka, and D. Cremer, Mol. Phys. 88, 93 (1996).
- (1996) Mol. Phys. , vol.88 , pp. 93
- Kim, S.-J.¹ Schaefer, H.F.² Kraka, E.³ Cremer, D.⁴

20
- 85034292410
- note
- For a review of calculations on dioxirane carried out with several different basis sets and levels of theory, see Ref. 12.

21
- 0031565717
- J. Gauss and J. F. Stanton. Chem. Phys. Lett. 276, 70 (1997); J. F. Stanton and J. Gauss, in Recent Advances in Coupled-Cluster Methods, edited by R. J. Bartlett (World Scientific, Singapore, 1997), pp. 49-79.
- (1997) Chem. Phys. Lett. , vol.276 , pp. 70
- Gauss, J.¹ Stanton, J.F.²

22
- 0002051156
- edited by R. J. Bartlett World Scientific, Singapore
- J. Gauss and J. F. Stanton. Chem. Phys. Lett. 276, 70 (1997); J. F. Stanton and J. Gauss, in Recent Advances in Coupled-Cluster Methods, edited by R. J. Bartlett (World Scientific, Singapore, 1997), pp. 49-79.
- (1997) Recent Advances in Coupled-Cluster Methods , pp. 49-79
- Stanton, J.F.¹ Gauss, J.²

23
- 0001654453
- L. A. Hull, I. C. Hisatsune, and J. Heicklen, J. Am. Chem. Soc. 94, 4856 (1972).
- (1972) J. Am. Chem. Soc. , vol.94 , pp. 4856
- Hull, L.A.¹ Hisatsune, I.C.² Heicklen, J.³

24
- 0001626413
- For a review of MBPT methods and their chemical applications, see R. J. Bartlett, Annu. Rev. Phys. Chem. 32, 359 (1981).
- (1981) Annu. Rev. Phys. Chem. , vol.32 , pp. 359
- Bartlett, R.J.¹

25
- 0001626413
- For reviews of coupled-cluster methods and their chemical applications, see R. J. Bartlett, Annu. Rev. Phys. Chem. 32, 359 (1981); T. J. Lee and G. E. Scuseria, in Quantum Mechanical Electronic Structure Calculations, edited by S. R. Langhoff (Kluwer, Dordrecht, 1995), p. 47; J. Gauss, in Encyclopedia of Computational Chemistry, edited by P. v. R. Schleyer (Wiley, New York, in press).
- (1981) Annu. Rev. Phys. Chem. , vol.32 , pp. 359
- Bartlett, R.J.¹

26
- 0004035344
- edited by S. R. Langhoff Kluwer, Dordrecht
- For reviews of coupled-cluster methods and their chemical applications, see R. J. Bartlett, Annu. Rev. Phys. Chem. 32, 359 (1981); T. J. Lee and G. E. Scuseria, in Quantum Mechanical Electronic Structure Calculations, edited by S. R. Langhoff (Kluwer, Dordrecht, 1995), p. 47; J. Gauss, in Encyclopedia of Computational Chemistry, edited by P. v. R. Schleyer (Wiley, New York, in press).
- (1995) Quantum Mechanical Electronic Structure Calculations , pp. 47
- Lee, T.J.¹ Scuseria, G.E.²

27
- 0003396304
- edited by P. v. R. Schleyer (Wiley, New York, in press)
- For reviews of coupled-cluster methods and their chemical applications, see R. J. Bartlett, Annu. Rev. Phys. Chem. 32, 359 (1981); T. J. Lee and G. E. Scuseria, in Quantum Mechanical Electronic Structure Calculations, edited by S. R. Langhoff (Kluwer, Dordrecht, 1995), p. 47; J. Gauss, in Encyclopedia of Computational Chemistry, edited by P. v. R. Schleyer (Wiley, New York, in press).
- Encyclopedia of Computational Chemistry
- Gauss, J.¹

28
- 0000122016
- G. D. Purvis and R. J. Bartlett, J. Chem. Phys. 76, 1910 (1982).
- (1982) J. Chem. Phys. , vol.76 , pp. 1910
- Purvis, G.D.¹ Bartlett, R.J.²

29
- 0006244148
- K. Raghavachari, G. W. Trucks, J. A. Pople, and M. Head-Gordon, Chem. Phys. Lett. 157, 479 (1989); R. J. Bartlett, J. D. Watts, S. A. Kucharski, and J. Noga, ibid. 165, 513 (1990).
- (1989) Chem. Phys. Lett. , vol.157 , pp. 479
- Raghavachari, K.¹ Trucks, G.W.² Pople, J.A.³ Head-Gordon, M.⁴

30
- 45149135930
- K. Raghavachari, G. W. Trucks, J. A. Pople, and M. Head-Gordon, Chem. Phys. Lett. 157, 479 (1989); R. J. Bartlett, J. D. Watts, S. A. Kucharski, and J. Noga, ibid. 165, 513 (1990).
- (1990) Chem. Phys. Lett. , vol.165 , pp. 513
- Bartlett, R.J.¹ Watts, J.D.² Kucharski, S.A.³ Noga, J.⁴

31
- 84931507903
- P. Pulay, Mol. Phys. 17, 197 (1969) [SCF];
- (1969) Mol. Phys. , vol.17 , pp. 197
- Pulay, P.¹

32
- 0041367109
- J. Gauss and D. Cremer, Chem. Phys. Lett. 138, 131 (1987) [SDQ-MBPT(4)];
- (1987) Chem. Phys. Lett. , vol.138 , pp. 131
- Gauss, J.¹ Cremer, D.²

33
- 0001260773
- A. C. Scheiner, G. E. Scuseria, J. E. Rice, T. J. Lee, and H. F. Schaefer, J. Chem. Phys. 87, 5361 (1987);
- (1987) J. Chem. Phys. , vol.87 , pp. 5361
- Scheiner, A.C.¹ Scuseria, G.E.² Rice, J.E.³ Lee, T.J.⁴ Schaefer, H.F.⁵

34
- 3442896400
- and references therein [CCSD(T)]
- J. D. Watts, J. Gauss, and R. J. Bartlett, Chem. Phys. Lett. 200, 1 ( 1992). and references therein [CCSD(T)].
- (1992) Chem. Phys. Lett. , vol.200 , pp. 1
- Watts, J.D.¹ Gauss, J.² Bartlett, R.J.³

35
- 85034298800
- note
- 1/2 bohr.

36
- 0001136801
- edited by K. N. Rao and C. W. Matthews Academic, New York
- I. M. Mills, in Modern Spectroscopy: Modern Research, edited by K. N. Rao and C. W. Matthews (Academic, New York, 1972), pp. 115-140.
- (1972) Modern Spectroscopy: Modern Research , pp. 115-140
- Mills, I.M.¹

37
- 0000404970
- W. H. Kirchhoff, J. Mol. Spectrosc. 41, 333 (1972).
- (1972) J. Mol. Spectrosc. , vol.41 , pp. 333
- Kirchhoff, W.H.¹

38
- 33645925786
- See, for example, P. Botschwina and J. Flügge, Chem. Phys. Lett. 180, 589 (1991); P. Botschwina, M. Horn, S. Seeger, and J. Flügge, ibid. 195, 427 (1992); C. A. Gottlieb, T. C. Killian, P. Thaddeus, P. Botschwina, P. Flügge, and M. Oswald, J. Chem. Phys. 98, 4478 (1993): M. C. McCarthy, C. A. Gottlieb, P. Thaddeus, M. Horn, and P. Botschwina, ibid. 103, 7820 (1995).
- (1991) Chem. Phys. Lett. , vol.180 , pp. 589
- Botschwina, P.¹ Flügge, J.²

39
- 0001382970
- See, for example, P. Botschwina and J. Flügge, Chem. Phys. Lett. 180, 589 (1991); P. Botschwina, M. Horn, S. Seeger, and J. Flügge, ibid. 195, 427 (1992); C. A. Gottlieb, T. C. Killian, P. Thaddeus, P. Botschwina, P. Flügge, and M. Oswald, J. Chem. Phys. 98, 4478 (1993): M. C. McCarthy, C. A. Gottlieb, P. Thaddeus, M. Horn, and P. Botschwina, ibid. 103, 7820 (1995).
- (1992) Chem. Phys. Lett. , vol.195 , pp. 427
- Botschwina, P.¹ Horn, M.² Seeger, S.³ Flügge, J.⁴

40
- 36449005123
- See, for example, P. Botschwina and J. Flügge, Chem. Phys. Lett. 180, 589 (1991); P. Botschwina, M. Horn, S. Seeger, and J. Flügge, ibid. 195, 427 (1992); C. A. Gottlieb, T. C. Killian, P. Thaddeus, P. Botschwina, P. Flügge, and M. Oswald, J. Chem. Phys. 98, 4478 (1993): M. C. McCarthy, C. A. Gottlieb, P. Thaddeus, M. Horn, and P. Botschwina, ibid. 103, 7820 (1995).
- (1993) J. Chem. Phys. , vol.98 , pp. 4478
- Gottlieb, C.A.¹ Killian, T.C.² Thaddeus, P.³ Botschwina, P.⁴ Flügge, P.⁵ Oswald, M.⁶

41
- 36449008104
- See, for example, P. Botschwina and J. Flügge, Chem. Phys. Lett. 180, 589 (1991); P. Botschwina, M. Horn, S. Seeger, and J. Flügge, ibid. 195, 427 (1992); C. A. Gottlieb, T. C. Killian, P. Thaddeus, P. Botschwina, P. Flügge, and M. Oswald, J. Chem. Phys. 98, 4478 (1993): M. C. McCarthy, C. A. Gottlieb, P. Thaddeus, M. Horn, and P. Botschwina, ibid. 103, 7820 (1995).
- (1995) J. Chem. Phys. , vol.103 , pp. 7820
- McCarthy, M.C.¹ Gottlieb, C.A.² Thaddeus, P.³ Horn, M.⁴ Botschwina, P.⁵

42
- 0000400562
- T. H. Dunning, J. Chem. Phys. 58, 2823 (1970).
- (1970) J. Chem. Phys. , vol.58 , pp. 2823
- Dunning, T.H.¹

43
- 0018468313
- L. T. Redmon, G. D. Purvis, and R. J. Barrlett, J. Am. Chem. Soc. 101, 2856 (1979).
- (1979) J. Am. Chem. Soc. , vol.101 , pp. 2856
- Redmon, L.T.¹ Purvis, G.D.² Barrlett, R.J.³

44
- 35348906888
- T. H. Dunning, J. Chem. Phys. 55. 716 (1971).
- (1971) J. Chem. Phys. , vol.55 , pp. 716
- Dunning, T.H.¹

45
- 0001406732
- P. G. Szalay, J. F. Stanton, and R. J. Bartlett, Chem. Phys. Lett. 193, 573 (1992).
- (1992) Chem. Phys. Lett. , vol.193 , pp. 573
- Szalay, P.G.¹ Stanton, J.F.² Bartlett, R.J.³

46
- 33746614482
- T. H. Dunning, J. Chem. Phys. 90, 1007 (1989).
- (1989) J. Chem. Phys. , vol.90 , pp. 1007
- Dunning, T.H.¹

47
- 84990669584
- J. F. Stanton, J. Gauss, J. D. Watts, W. J. Lauderdale, and R. J. Bartlett, Int. J. Quantum Chem. S 26, 879 (1992).
- (1992) Int. J. Quantum Chem. S , vol.26 , pp. 879
- Stanton, J.F.¹ Gauss, J.² Watts, J.D.³ Lauderdale, W.J.⁴ Bartlett, R.J.⁵

48
- 0013004607
- K. Anderson, P.-Ȧ. Malmqvist, B. O. Roos, A. Sadlej, and K. Wolinski, J. Phys. Chem. 94, 5483 (1990); K. Anderson, P.-Ȧ. Malmqvist, and B. O. Roos, ibid. 96, 1218 (1992).
- (1990) J. Phys. Chem. , vol.94 , pp. 5483
- Anderson, K.¹ Malmqvist, P.-A.² Roos, B.O.³ Sadlej, A.⁴ Wolinski, K.⁵

49
- 36448998619
- K. Anderson, P.-Ȧ. Malmqvist, B. O. Roos, A. Sadlej, and K. Wolinski, J. Phys. Chem. 94, 5483 (1990); K. Anderson, P.-Ȧ. Malmqvist, and B. O. Roos, ibid. 96, 1218 (1992).
- (1992) J. Phys. Chem. , vol.96 , pp. 1218
- Anderson, K.¹ Malmqvist, P.-A.² Roos, B.O.³

50
- 84962534251
- R. J. Bartlett and J. F. Stanton, Rev. Comput. Chem. 5. 65 (1994)
- (1994) Rev. Comput. Chem. , vol.5 , pp. 65
- Bartlett, R.J.¹ Stanton, J.F.²

51
- 0344901144
- Microwave Melecular Spectra
- edited by W. West Wiley, New York
- W. Gordy and R. L. Cook, Microwave Melecular Spectra, Part II of Chemical Applications of Spectroscopy, 2nd ed., edited by W. West (Wiley, New York, 1970), pp. 532-540.
- (1970) Chemical Applications of Spectroscopy, 2nd Ed. , Issue.2 PART , pp. 532-540
- Gordy, W.¹ Cook, R.L.²

52
- 0000228287
- J. K. G. Watson, J. Mol. Spectrosc. 48, 479 (1973).
- (1973) J. Mol. Spectrosc. , vol.48 , pp. 479
- Watson, J.K.G.¹

53
- 85034278130
- note
- e. This value is based on the magnitude of scatter found amongst the results calculated at correlated levels of theory, and represents our estimate of how much the vibration-rotation contribution to the rotational constants might be affected by further improvement in the theoretical treatment.

54
- 85034301891
- note
- Amongst the correlated methods used here, all of the isotopic shifts differ by lest than 5 MHz.

55
- 0001619261
- T. Helgaker, J. Gauss, P. Jørgensen, and J. Olsen, J. Chem. Phys. 106, 6430 (1997).
- (1997) J. Chem. Phys. , vol.106 , pp. 6430
- Helgaker, T.¹ Gauss, J.² Jørgensen, P.³ Olsen, J.⁴

56
- 0000424155
- C. K. Kohlmiller and L. Andrews, J. Am. Chem. Soc. 103, 2578 (1981).
- (1981) J. Am. Chem. Soc. , vol.103 , pp. 2578
- Kohlmiller, C.K.¹ Andrews, L.²

57
- 4243880946
- U. Samuni and Y. Haas, Spectrochim. Acta A 53, 1479 (1996).
- (1996) Spectrochim. Acta A , vol.53 , pp. 1479
- Samuni, U.¹ Haas, Y.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.