SCOPUS 정보 검색 플랫폼

Journal of Chemical Physics

Volumn 106, Issue 10, 1997, Pages 4022-4027

Theoretical study of barrier height to linearity of bent triatomic molecules

(1) Lee, Jae Shin a

a Ajou University (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 5244322974 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.473120 Document Type: Article

Times cited : (3)

References (33)

1
- 0012919586
- A. D. McLean, P. R. Bunker, R. M. Escribano, and P. Jensen, J. Chem. Phys. 87, 2166 (1987).
- (1987) J. Chem. Phys. , vol.87 , pp. 2166
- McLean, A.D.¹ Bunker, P.R.² Escribano, R.M.³ Jensen, P.⁴

2
- 0012072623
- P. R. Bunker, P. Jensen, W. P. Kraemer, and R. Beardsworth, J. Chem. Phys. 85, 3724 (1986).
- (1986) J. Chem. Phys. , vol.85 , pp. 3724
- Bunker, P.R.¹ Jensen, P.² Kraemer, W.P.³ Beardsworth, R.⁴

3
- 0001147710
- P. R. Bunker and B. M. Landsberg, J. Mol. Spectrosc. 67, 374 (1977); W. H. Green, N. C. Handy, P. J. Knowles, and S. Carter, J. Chem. Phys. 94, 118 (1991).
- (1977) J. Mol. Spectrosc. , vol.67 , pp. 374
- Bunker, P.R.¹ Landsberg, B.M.²

4
- 36449005523
- P. R. Bunker and B. M. Landsberg, J. Mol. Spectrosc. 67, 374 (1977); W. H. Green, N. C. Handy, P. J. Knowles, and S. Carter, J. Chem. Phys. 94, 118 (1991).
- (1991) J. Chem. Phys. , vol.94 , pp. 118
- Green, W.H.¹ Handy, N.C.² Knowles, P.J.³ Carter, S.⁴

5
- 0010307082
- G. V. Hartland, D. Qin, and H. L. Dai, J. Chem. Phys. 102, 6641 (1995).
- (1995) J. Chem. Phys. , vol.102 , pp. 6641
- Hartland, G.V.¹ Qin, D.² Dai, H.L.³

6
- 0000001627
- R. E. Howard, A. D. McLean, and W. A. Lester, Jr., J. Chem. Phys. 71, 2412 (1979); R. Schinke and W. A. Lester, Jr., J. Chem. Phys. 72, 3754 (1980).
- (1979) J. Chem. Phys. , vol.71 , pp. 2412
- Howard, R.E.¹ McLean, A.D.² Lester Jr., W.A.³

7
- 36749109825
- R. E. Howard, A. D. McLean, and W. A. Lester, Jr., J. Chem. Phys. 71, 2412 (1979); R. Schinke and W. A. Lester, Jr., J. Chem. Phys. 72, 3754 (1980).
- (1980) J. Chem. Phys. , vol.72 , pp. 3754
- Schinke, R.¹ Lester Jr., W.A.²

8
- 0001168401
- G. Hirsch and R. J. Buenker, Can. J. Chem. 63, 1542 (1985); Y. Xie, R. D. Davy, B. F. Yates, C. P. Blahous III, Y. Yamaguchi, and H. F. Schaefer III, Chem. Phys. 135, 179 (1989).
- (1985) Can. J. Chem. , vol.63 , pp. 1542
- Hirsch, G.¹ Buenker, R.J.²

9
- 0000700893
- G. Hirsch and R. J. Buenker, Can. J. Chem. 63, 1542 (1985); Y. Xie, R. D. Davy, B. F. Yates, C. P. Blahous III, Y. Yamaguchi, and H. F. Schaefer III, Chem. Phys. 135, 179 (1989).
- (1989) Chem. Phys. , vol.135 , pp. 179
- Xie, Y.¹ Davy, R.D.² Yates, B.F.³ Blahous III, C.P.⁴ Yamaguchi, Y.⁵ Schaefer III, H.F.⁶

10
- 0028427109
- -1, which is well below any theoretical barrier height given in Ref. 6
- -1, which is well below any theoretical barrier height given in Ref. 6.
- (1994) J. Mol. Spectrosc. , vol.165 , pp. 173
- Tashkun, S.A.¹ Jensen, P.²

11
- 2442481958
- C. Peng, P. Y. Ayala, H. B. Schlegel, and M. J. Frisch, J. Comp. Chem. 17, 49 (1996).
- (1996) J. Comp. Chem. , vol.17 , pp. 49
- Peng, C.¹ Ayala, P.Y.² Schlegel, H.B.³ Frisch, M.J.⁴

12
- 0011682081
- J. A. Pople, M. Head-Gordon, and K. Raghavachari, J. Chem. Phys. 87, 5968 (1987).
- (1987) J. Chem. Phys. , vol.87 , pp. 5968
- Pople, J.A.¹ Head-Gordon, M.² Raghavachari, K.³

13
- 0000387235
- R. Fletcher and M. J. D. Powell, Comput. J. 6, 163 (1963).
- (1963) Comput. J. , vol.6 , pp. 163
- Fletcher, R.¹ Powell, M.J.D.²

14
- 84987093700
- R. Krishnan and J. A. Pople, Int. J. Quan. Chem. 14, 91 (1978); R. Krishnan, M. J. Frisch, and J. A. Pople, J. Chem. Phys. 72, 4244 (1980).
- (1978) Int. J. Quan. Chem. , vol.14 , pp. 91
- Krishnan, R.¹ Pople, J.A.²

15
- 0000649832
- R. Krishnan and J. A. Pople, Int. J. Quan. Chem. 14, 91 (1978); R. Krishnan, M. J. Frisch, and J. A. Pople, J. Chem. Phys. 72, 4244 (1980).
- (1980) J. Chem. Phys. , vol.72 , pp. 4244
- Krishnan, R.¹ Frisch, M.J.² Pople, J.A.³

16
- 0001802479
- J. Cizek, Adv. Chem. Phys. 14, 35 (1969).
- (1969) Adv. Chem. Phys. , vol.14 , pp. 35
- Cizek, J.¹

17
- 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

18
- 36549098398
- G. E. Scuseria, C. L. Janssen, and H. F. Schaefer III, J. Chem. Phys. 89, 7382 (1988).
- (1988) J. Chem. Phys. , vol.89 , pp. 7382
- Scuseria, G.E.¹ Janssen, C.L.² Schaefer III, H.F.³

19
- 36549094556
- G. E. Scuseria and H. F. Schaefer III, J. Chem. Phys. 90, 3700 (1989).
- (1989) J. Chem. Phys. , vol.90 , pp. 3700
- Scuseria, G.E.¹ Schaefer III, H.F.²

20
- 33746614482
- T. H. Dunning, Jr., J. Chem. Phys. 90, 1007 (1989).
- (1989) J. Chem. Phys. , vol.90 , pp. 1007
- Dunning Jr., T.H.¹

21
- 33748497962
- J. Almlöf and P. R. Taylor, J. Chem. Phys. 86, 4070 (1987); J. Almlöf, T. Helgaker, and P. R. Taylor, ibid. 92, 3029 (1988).
- (1987) J. Chem. Phys. , vol.86 , pp. 4070
- Almlöf, J.¹ Taylor, P.R.²

22
- 0000517934
- J. Almlöf and P. R. Taylor, J. Chem. Phys. 86, 4070 (1987); J. Almlöf, T. Helgaker, and P. R. Taylor, ibid. 92, 3029 (1988).
- (1988) J. Chem. Phys. , vol.92 , pp. 3029
- Almlöf, J.¹ Helgaker, T.² Taylor, P.R.³

23
- 0042831623
- A. Pipano, R. R. Gilman, and I. Shavitt, Chem. Phys. Lett. 5, 285 (1970).
- (1970) Chem. Phys. Lett. , vol.5 , pp. 285
- Pipano, A.¹ Gilman, R.R.² Shavitt, I.³

24
- 0004133516
- Gaussian, Inc., Pittsburgh, PA
- GAUSSIAN 94, M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. A. Keith, G. A. Petersson, J. A. Montgometry, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzalez, and J. A. Pople, Gaussian, Inc., Pittsburgh, PA, 1995.
- (1995) GAUSSIAN 94
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³ Gill, P.M.W.⁴ Johnson, B.G.⁵ Robb, M.A.⁶ Cheeseman, J.R.⁷ Keith, T.A.⁸ Petersson, G.A.⁹ Montgometry, J.A.¹⁰ Raghavachari, K.¹¹ Al-Laham, M.A.¹² Zakrzewski, V.G.¹³ Ortiz, J.V.¹⁴ Foresman, J.B.¹⁵ Cioslowski, J.¹⁶ Stefanov, B.B.¹⁷ Nanayakkara, A.¹⁸ Challacombe, M.¹⁹ Peng, C.Y.²⁰ more..

25
- 0007164775
- O. L. Polyansky, P. Jensen, and J. Tennyson, J. Chem. Phys. 101, 7651 (1994).
- (1994) J. Chem. Phys. , vol.101 , pp. 7651
- Polyansky, O.L.¹ Jensen, P.² Tennyson, J.³

26
- 0011646186
- L. Farnell, J. A. Pople, and L. Radom, J. Phys. Chem. 87, 79 (1983).
- (1983) J. Phys. Chem. , vol.87 , pp. 79
- Farnell, L.¹ Pople, J.A.² Radom, L.³

27
- 34547544565
- W. Chen and H. B. Schlegel, J. Chem. Phys. 101, 5957 (1994).
- (1994) J. Chem. Phys. , vol.101 , pp. 5957
- Chen, W.¹ Schlegel, H.B.²

28
- 84873055189
- Wiley, New York
- W. J. Hehre, L. Radom, P. v. R. Schleyer, and J. A. Pople, Ab Initio Molecular Orbital Theory (Wiley, New York, 1986).
- (1986) Ab Initio Molecular Orbital Theory
- Hehre, W.J.¹ Radom, L.² V R Schleyer, P.³ Pople, J.A.⁴

29
- 36449006587
- D. E. Woon and T. H. Dunning, Jr., J. Chem. Phys. 103, 4572 (1995).
- (1995) J. Chem. Phys. , vol.103 , pp. 4572
- Woon, D.E.¹ Dunning Jr., T.H.²

30
- 36449000060
- K. A. Peterson, R. A. Kendall, and T. H. Dunning, Jr., J. Chem. Phys. 99, 1930 (1993); 99, 9790 (1993); D. E. Woon and T. H. Dunning, Jr., ibid. 101, 8877 (1994).
- (1993) J. Chem. Phys. , vol.99 , pp. 1930
- Peterson, K.A.¹ Kendall, R.A.² Dunning Jr., T.H.³

31
- 0000561826
- K. A. Peterson, R. A. Kendall, and T. H. Dunning, Jr., J. Chem. Phys. 99, 1930 (1993); 99, 9790 (1993); D. E. Woon and T. H. Dunning, Jr., ibid. 101, 8877 (1994).
- (1993) J. Chem. Phys. , vol.99 , pp. 9790

32
- 36449002303
- K. A. Peterson, R. A. Kendall, and T. H. Dunning, Jr., J. Chem. Phys. 99, 1930 (1993); 99, 9790 (1993); D. E. Woon and T. H. Dunning, Jr., ibid. 101, 8877 (1994).
- (1994) J. Chem. Phys. , vol.101 , pp. 8877
- Woon, D.E.¹ Dunning Jr., T.H.²

33
- 5244267047
- C. F. Jackels and E. R. Davidson, J. Chem. Phys. 65, 2942 (1976).
- (1976) J. Chem. Phys. , vol.65 , pp. 2942
- Jackels, C.F.¹ Davidson, E.R.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.