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Journal of Molecular Spectroscopy

Volumn 179, Issue 1, 1996, Pages 73-78

Equilibrium structure and spectroscopic constants of difluoroethyne: An ab initio study

(3) Breidung, Jürgen a Hansen, Thorsten a Thiel, Walter a

a UNIVERSITY OF ZURICH (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0002936677 PISSN: 00222852 EISSN: None Source Type: Journal
DOI: 10.1006/jmsp.1996.0185 Document Type: Article

Times cited : (15)

References (36)

1
- 0010486673
- H. Bürger, W. Schneider, S. Sommer, W. Thiel, and H. Willner, J. Chem. Phys. 95, 5660-5669 (1991).
- (1991) J. Chem. Phys. , vol.95 , pp. 5660-5669
- Bürger, H.¹ Schneider, W.² Sommer, S.³ Thiel, W.⁴ Willner, H.⁵

2
- 5544255193
- H. Bürger and S. Sommer, J. Mol. Spectrosc. 151, 148-158 (1992).
- (1992) J. Mol. Spectrosc. , vol.151 , pp. 148-158
- Bürger, H.¹ Sommer, S.²

3
- 0346802956
- D. McNaughton and P. Elmes, Spectrochim. Acta, Part A 48, 605-611 (1992).
- (1992) Spectrochim. Acta, Part A , vol.48 , pp. 605-611
- McNaughton, D.¹ Elmes, P.²

4
- 85029974179
- Ph.D. thesis, Wuppertal
- S. Ma, Ph.D. thesis, Wuppertal, 1995.
- (1995)
- Ma, S.¹

5
- 0344705094
- H. Bürger, M. Senzlober, and S. Sommer, J. Mol. Spectrosc. 164, 570-573 (1994).
- (1994) J. Mol. Spectrosc. , vol.164 , pp. 570-573
- Bürger, H.¹ Senzlober, M.² Sommer, S.³

6
- 0000317791
- J. Demaison and L. Nemes, J. Mol. Struct. 55, 295-299 (1979).
- (1979) J. Mol. Struct. , vol.55 , pp. 295-299
- Demaison, J.¹ Nemes, L.²

7
- 0000408313
- P. Botschwina, M. Oswald, J. Flügge, Ä. Heyl, and R. Oswald, Chem. Phys. Lett. 209, 117-125 (1993).
- (1993) Chem. Phys. Lett. , vol.209 , pp. 117-125
- Botschwina, P.¹ Oswald, M.² Flügge, J.³ Heyl, A.⁴ Oswald, R.⁵

8
- 0001487205
- P. Botschwina and S. Seeger, J. Mol. Struct. 320, 243-247 (1994).
- (1994) J. Mol. Struct. , vol.320 , pp. 243-247
- Botschwina, P.¹ Seeger, S.²

9
- 0010484492
- J. Breidung, W. Schneider, W. Thiel, and T. J. Lee, J. Chem. Phys. 97, 3498-3499 (1992).
- (1992) J. Chem. Phys. , vol.97 , pp. 3498-3499
- Breidung, J.¹ Schneider, W.² Thiel, W.³ Lee, T.J.⁴

10
- 2342430094
- C. C. J. Roothaan, Rev. Mod. Phys. 23, 69-89 (1951).
- (1951) Rev. Mod. Phys. , vol.23 , pp. 69-89
- Roothaan, C.C.J.¹

11
- 6944251055
- C. Møller and M. S. Plesset, Phys. Rev. 46, 618-622 (1934).
- (1934) Phys. Rev. , vol.46 , pp. 618-622
- Møller, C.¹ Plesset, M.S.²

12
- 0000122016
- G. D. Purvis III and R. J. Bartlett, J. Chem. Phys. 76, 1910-1918 (1982).
- (1982) J. Chem. Phys. , vol.76 , pp. 1910-1918
- Purvis G.D. III¹ Bartlett, R.J.²

13
- 0006244148
- K. Raghavachari, G. W. Trucks, J. A. Pople, and M. Head-Gordon, Chem. Phys. Lett. 157, 479-483 (1989).
- (1989) Chem. Phys. Lett. , vol.157 , pp. 479-483
- Raghavachari, K.¹ Trucks, G.W.² Pople, J.A.³ Head-Gordon, M.⁴

14
- 0013004607
- K. Andersson, P.-Å. Malmqvist, B. O. Roos, A. J. Sadlej, and K. Wolinski, J. Phys. Chem. 94, 5483-5488 (1990).
- (1990) J. Phys. Chem. , vol.94 , pp. 5483-5488
- Andersson, K.¹ Malmqvist, P.-A.² Roos, B.O.³ Sadlej, A.J.⁴ Wolinski, K.⁵

15
- 36448998619
- K. Andersson, P.-Å. Malmqvist, and B. O. Roos, J. Chem. Phys. 96, 1218-1226 (1992).
- (1992) J. Chem. Phys. , vol.96 , pp. 1218-1226
- Andersson, K.¹ Malmqvist, P.-A.² Roos, B.O.³

16
- 84872804460
- Revision G.2, Gaussian, Pittsburgh, PA
- M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. W. Wong, J. B. Foresman, M. A. Robb, M. Head-Gordon, E. S. Replogle, R. Gomperts, J. L. Andres, K. Raghavachari, J. S. Binkley, C. Gonzalez, R. L. Martin, D. J. Fox, D. J. Defrees, J. Baker, J. J. P. Stewart, and J. A. Pople, GAUSSIAN92, Revision G.2, Gaussian, Pittsburgh, PA, 1993.
- (1993) GAUSSIAN92
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³ Gill, P.M.W.⁴ Johnson, B.G.⁵ Wong, M.W.⁶ Foresman, J.B.⁷ Robb, M.A.⁸ Head-Gordon, M.⁹ Replogle, E.S.¹⁰ Gomperts, R.¹¹ Andres, J.L.¹² Raghavachari, K.¹³ Binkley, J.S.¹⁴ Gonzalez, C.¹⁵ Martin, R.L.¹⁶ Fox, D.J.¹⁷ Defrees, D.J.¹⁸ Baker, J.¹⁹ Stewart, J.J.P.²⁰ Pople, J.A.²¹ more..

17
- 84990669584
- J. F. Stanton, J. Gauss, J. D. Watts, W. J. Lauderdale, and R. J. Bartlett, Int. J. Quantum Chem. Symp. 26, 879-894 (1992).
- (1992) Int. J. Quantum Chem. Symp. , vol.26 , pp. 879-894
- Stanton, J.F.¹ Gauss, J.² Watts, J.D.³ Lauderdale, W.J.⁴ Bartlett, R.J.⁵

18
- 0003985620
- University of Lund, Lund, Sweden
- K. Andersson, M. R. A. Blomberg, P. Borowski, P. Boussard, M. P. Fülscher, G. Karlström, V. Kellö, R. Lindh, P.-Å. Malmqvist, J. Noga, J. Olsen, B. O. Roos, A. J. Sadlej, P. E. M. Siegbahn, M. Urban, and P. O. Widmark, MOLCAS Version 3, University of Lund, Lund, Sweden, 1993.
- (1993) MOLCAS Version 3
- Andersson, K.¹ Blomberg, M.R.A.² Borowski, P.³ Boussard, P.⁴ Fülscher, M.P.⁵ Karlström, G.⁶ Kellö, V.⁷ Lindh, R.⁸ Malmqvist, P.-A.⁹ Noga, J.¹⁰ Olsen, J.¹¹ Roos, B.O.¹² Sadlej, A.J.¹³ Siegbahn, P.E.M.¹⁴ Urban, M.¹⁵ Widmark, P.O.¹⁶

19
- 85029997342
- MOLPRO94 is a package of ab initio programs written by
- MOLPRO94 is a package of ab initio programs written by H.-J. Werner and P. J. Knowles, with contributions from J. Almlöf, R. D. Amos, M. J. O. Deegan, S. T. Elbert, C. Hampel, W. Meyer, K. A. Peterson, R. M. Pitzer, A. J. Stone, and P. R. Taylor.
- Werner, H.-J.¹ Knowles, P.J.² Almlöf, J.³ Amos, R.D.⁴ Deegan, M.J.O.⁵ Elbert, S.T.⁶ Hampel, C.⁷ Meyer, W.⁸ Peterson, K.A.⁹ Pitzer, R.M.¹⁰ Stone, A.J.¹¹ Taylor, P.R.¹²

20
- 0002745201
- C. Hampel, K. A. Peterson, and H.-J. Werner, Chem. Phys. Lett. 190, 1-12 (1992).
- (1992) Chem. Phys. Lett. , vol.190 , pp. 1-12
- Hampel, C.¹ Peterson, K.A.² Werner, H.-J.³

21
- 35348906888
- T. H. Dunning, Jr., J. Chem. Phys. 55, 716-723 (1971).
- (1971) J. Chem. Phys. , vol.55 , pp. 716-723
- Dunning T.H., Jr.¹

22
- 33746614482
- T. H. Dunning, Jr., J. Chem. Phys. 90, 1007-1023 (1989).
- (1989) J. Chem. Phys. , vol.90 , pp. 1007-1023
- Dunning T.H., Jr.¹

23
- 0000196761
- B. O. Roos, Adv. Chem. Phys. 69, 399-445 (1987).
- (1987) Adv. Chem. Phys. , vol.69 , pp. 399-445
- Roos, B.O.¹

24
- 0000252370
- S. R. Langhoff, Ed., Kluwer, Dordrecht
- B. O. Roos, M. Fülscher, P.-Å. Malmqvist, M. Merchán, and L. Serrano-Andrés, in "Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy" (S. R. Langhoff, Ed.), pp. 357-438, Kluwer, Dordrecht, 1995.
- (1995) Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy , pp. 357-438
- Roos, B.O.¹ Fülscher, M.² Malmqvist, P.-A.³ Merchán, M.⁴ Serrano-Andrés, L.⁵

25
- 36449006622
- J. D. Watts, J. Gauss, and R. J. Bartlett, J. Chem. Phys. 98, 8718-8733 (1993).
- (1993) J. Chem. Phys. , vol.98 , pp. 8718-8733
- Watts, J.D.¹ Gauss, J.² Bartlett, R.J.³

26
- 30244547386
- Bloomington
- L. B. Harding and W. C. Ermler, QCPE program No. 505: SURVIB, Quantum Chemistry Program Exchange, Bloomington, 1986.
- (1986) QCPE Program No. 505: SURVIB, Quantum Chemistry Program Exchange
- Harding, L.B.¹ Ermler, W.C.²

27
- 84988058326
- L. B. Harding and W. C. Ermler, J. Comput. Chem. 6, 13-27 (1985).
- (1985) J. Comput. Chem. , vol.6 , pp. 13-27
- Harding, L.B.¹ Ermler, W.C.²

28
- 0004003691
- McGraw-Hill, New York
- E. B. Wilson, Jr., J. C. Decius, and P. C. Cross, "Molecular Vibrations," McGraw-Hill, New York, 1955.
- (1955) Molecular Vibrations
- Wilson E.B., Jr.¹ Decius, J.C.² Cross, P.C.³

29
- 0004123902
- Wiley, New York
- S. Califano, "Vibrational States," Wiley, New York, 1976.
- (1976) Vibrational States
- Califano, S.¹

30
- 0000127360
- W. D. Allen, Y. Yamaguchi, A. G. Császár, D. A. Clabo, Jr., R. B. Remington, and H. F. Schaefer III, Chem. Phys. 145, 427-466 (1990).
- (1990) Chem. Phys. , vol.145 , pp. 427-466
- Allen, W.D.¹ Yamaguchi, Y.² Császár, A.G.³ Clabo D.A., Jr.⁴ Remington, R.B.⁵ Schaefer H.F. III⁶

31
- 0000899804
- W. Schneider and W. Thiel, Chem. Phys. Lett. 157, 367-373 (1989).
- (1989) Chem. Phys. Lett. , vol.157 , pp. 367-373
- Schneider, W.¹ Thiel, W.²

32
- 84990713479
- T. J. Lee and P. R. Taylor, Int. J. Quantum Chem. Symp. 23, 199-207 (1989).
- (1989) Int. J. Quantum Chem. Symp. , vol.23 , pp. 199-207
- Lee, T.J.¹ Taylor, P.R.²

33
- 0002560360
- S. R. Langhoff, Ed., Kluwer, Dordrecht
- T. J. Lee and G. E. Scuseria, in "Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy" (S. R. Langhoff, Ed.), pp. 47-108, Kluwer, Dordrecht, 1995.
- (1995) Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy , pp. 47-108
- Lee, T.J.¹ Scuseria, G.E.²

34
- 0001404305
- M. M. Gallo and H. F. Schaefer III, J. Chem. Phys. 93, 865-866 (1990).
- (1990) J. Chem. Phys. , vol.93 , pp. 865-866
- Gallo, M.M.¹ Schaefer H.F. III²

35
- 0001129820
- A. F. Borro and I. M. Mills, J. Mol. Struct. 320, 237-242 (1994).
- (1994) J. Mol. Struct. , vol.320 , pp. 237-242
- Borro, A.F.¹ Mills, I.M.²

36
- 36449007957
- J. M. L. Martin, J. Chem., Phys. 100, 8186-8193 (1994).
- (1994) J. Chem., Phys. , vol.100 , pp. 8186-8193
- Martin, J.M.L.¹

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