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Chemical Physics

Volumn 214, Issue 2-3, 1997, Pages 229-241

Ab initio calculations of S1 excited state vibrational spectra of benzene, naphthalene and anthracene

(2) Jas, Gouri S a Kuczera, Krzysztof a

a UNIVERSITY OF KANSAS (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0031568204 PISSN: 03010104 EISSN: None Source Type: Journal
DOI: 10.1016/S0301-0104(96)00315-1 Document Type: Article

Times cited : (50)

References (52)

1
- 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

2
- 0040276977
- eds. R.F. Barrow, D.A. Long and D.J. Millen The Chemical Society, London
- J.L. Duncan, in: Molecular spectroscopy, Vol. 3, eds. R.F. Barrow, D.A. Long and D.J. Millen (The Chemical Society, London, 1975).
- (1975) Molecular Spectroscopy , vol.3
- Duncan, J.L.¹

3
- 84873055189
- Wiley, New York
- W.J. Hehre, L. Radom, P. von 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 Schleyer, P.V.R.³ Pople, J.A.⁴

4
- 0000703066
- J.B. Foresman, M. Head-Gordon and J.A. Pople, J. Phys. Chem. 96 (1992) 135.
- (1992) J. Phys. Chem. , vol.96 , pp. 135
- Foresman, J.B.¹ Head-Gordon, M.² Pople, J.A.³

5
- 0004311518
- Kluwer Academic, Dordrecht
- H.B. Schlegel and J.B. Foresman, NATO-ASI Series C (Kluwer Academic, Dordrecht, 1993) pp. 11-20.
- (1993) NATO-ASI Series C , pp. 11-20
- Schlegel, H.B.¹ Foresman, J.B.²

6
- 0001120505
- G. Orlandi, P. Palmieri, R. Tarroni, F. Zerbetto and M.Z. Zgierski, J. Chem. Phys. 100 (1994) 2458.
- (1994) J. Chem. Phys. , vol.100 , pp. 2458
- Orlandi, G.¹ Palmieri, P.² Tarroni, R.³ Zerbetto, F.⁴ Zgierski, M.Z.⁵

7
- 0000181797
- P. Swiderek, G. Hohlneicher, S.A. Maluendes and M. Dupuis, J. Chem. Phys. 98 (1993) 974.
- (1993) J. Chem. Phys. , vol.98 , pp. 974
- Swiderek, P.¹ Hohlneicher, G.² Maluendes, S.A.³ Dupuis, M.⁴

8
- 0027106485
- F. Pauzat, D. Talbi, M.D. Miller, D.J. DeFrees and Y. Ellinger, J. Phys. Chem. 96 (1992) 7882.
- (1992) J. Phys. Chem. , vol.96 , pp. 7882
- Pauzat, F.¹ Talbi, D.² Miller, M.D.³ DeFrees, D.J.⁴ Ellinger, Y.⁵

9
- 0000490707
- D. Gruner, A. Nguyen and P. Brumer, J. Chem. Phys. 101 (1994) 10366.
- (1994) J. Chem. Phys. , vol.101 , pp. 10366
- Gruner, D.¹ Nguyen, A.² Brumer, P.³

10
- 21844483189
- S. Zilberg, U. Samuni, R. Fraenkel and Y. Hass, Chem. Phys. 186 (1994) 303.
- (1994) Chem. Phys. , vol.186 , pp. 303
- Zilberg, S.¹ Samuni, U.² Fraenkel, R.³ Hass, Y.⁴

11
- 0000638857
- S. Zilberg, Y. Hass and S. Shaik, J. Phys. Chem. 99 (1995) 16558.
- (1995) J. Phys. Chem. , vol.99 , pp. 16558
- Zilberg, S.¹ Hass, Y.² Shaik, S.³

12
- 84913197244
- D.H. Whiffen, Proc. Roy. Soc. A 248 (1955) 131.
- (1955) Proc. Roy. Soc. A , vol.248 , pp. 131
- Whiffen, D.H.¹

13
- 0001004695
- J.C. Duinker and I.M. Mills, Spectrochim. Acta A 24 (1968) 417.
- (1968) Spectrochim. Acta A , vol.24 , pp. 417
- Duinker, J.C.¹ Mills, I.M.²

14
- 0040871274
- S.N. Thakur, L. Goodman and A.G. Ozkabak, J. Chem. Phys. 84 (1986) 1169.
- (1986) J. Chem. Phys. , vol.84 , pp. 1169
- Thakur, S.N.¹ Goodman, L.² Ozkabak, A.G.³

15
- 0000023714
- A.G. Ozkababk and L. Goodman, J. Chem. Phys. 87 (1987) 2564.
- (1987) J. Chem. Phys. , vol.87 , pp. 2564
- Ozkababk, A.G.¹ Goodman, L.²

16
- 33751499022
- L. Goodman, A.G. Ozkabak and S.N. Thakur, J. Phys. Chem. 95 (1991) 9044.
- (1991) J. Phys. Chem. , vol.95 , pp. 9044
- Goodman, L.¹ Ozkabak, A.G.² Thakur, S.N.³

17
- 4244209754
- D.E. Freeman and L.G. Ross, Spectrochim. Acta 16 (1960) 1393.
- (1960) Spectrochim. Acta , vol.16 , pp. 1393
- Freeman, D.E.¹ Ross, L.G.²

18
- 0010389672
- D.B. Scully and D.H. Whiffen, Spectrochim. Acta 16 (1960) 1409.
- (1960) Spectrochim. Acta , vol.16 , pp. 1409
- Scully, D.B.¹ Whiffen, D.H.²

19
- 5844244494
- N. Neto, M. Scrocco and S. Califano, Spectrochim. Acta 22 (1966) 1981.
- (1966) Spectrochim. Acta , vol.22 , pp. 1981
- Neto, N.¹ Scrocco, M.² Califano, S.³

20
- 0007885110
- J.R. Scherer, Spectrochim. Acta A 24 (1968) 747.
- (1968) Spectrochim. Acta A , vol.24 , pp. 747
- Scherer, J.R.¹

21
- 0001573778
- K. Ohno, J. Mol. Spectrosc. 72 (1978) 238.
- (1978) J. Mol. Spectrosc. , vol.72 , pp. 238
- Ohno, K.¹

22
- 36749105598
- S.M. Beck, D.E. Powers, J.B. Hopkins and R.E. Smalley, J. Chem. Phys. 73 (1980) 2019.
- (1980) J. Chem. Phys. , vol.73 , pp. 2019
- Beck, S.M.¹ Powers, D.E.² Hopkins, J.B.³ Smalley, R.E.⁴

23
- 0345420730
- M. Gutmann, P.-F. Schonzart and G. Hohlneicher, Chem. Phys. 140 (1990) 107.
- (1990) Chem. Phys. , vol.140 , pp. 107
- Gutmann, M.¹ Schonzart, P.-F.² Hohlneicher, G.³

24
- 0001631098
- K. Ohno, J. Mol. Spectrosc. 77 (1979) 329.
- (1979) J. Mol. Spectrosc. , vol.77 , pp. 329
- Ohno, K.¹

25
- 36549102428
- W.R. Lambert, P.M. Felker, J.A. Syage and A.H. Zewail, J. Chem. Phys. 81 (1984) 2195.
- (1984) J. Chem. Phys. , vol.81 , pp. 2195
- Lambert, W.R.¹ Felker, P.M.² Syage, J.A.³ Zewail, A.H.⁴

26
- 33749360816
- P. Pulay and G. Fogarasi, J. Chem. Phys. 74 (1981) 3999.
- (1981) J. Chem. Phys. , vol.74 , pp. 3999
- Pulay, P.¹ Fogarasi, G.²

27
- 0001362049
- H. Guo and M. Karplus, J. Chem. Phys. 89 (1988) 4235.
- (1988) J. Chem. Phys. , vol.89 , pp. 4235
- Guo, H.¹ Karplus, M.²

28
- 0011627523
- A.G. Ozkabak, L. Goodman and K. Wiberg, J. Chem. Phys. 92 (1990) 4115.
- (1990) J. Chem. Phys. , vol.92 , pp. 4115
- Ozkabak, A.G.¹ Goodman, L.² Wiberg, K.³

29
- 0000392380
- Y. Haas and S. Zilberg, J. Am. Chem. Soc. 117 (1995) 5387.
- (1995) J. Am. Chem. Soc. , vol.117 , pp. 5387
- Haas, Y.¹ Zilberg, S.²

30
- 0000152743
- S. Shaik, A. Shurki, D. Danovich and P.C. Hiberty, J. Am. Chem. Soc. 118 (1996) 666.
- (1996) J. Am. Chem. Soc. , vol.118 , pp. 666
- Shaik, S.¹ Shurki, A.² Danovich, D.³ Hiberty, P.C.⁴

31
- 33845379025
- H. Sellers, P. Pulay and J.E. Boggs, J. Am. Chem. Soc. 107 (1985) 6487.
- (1985) J. Am. Chem. Soc. , vol.107 , pp. 6487
- Sellers, H.¹ Pulay, P.² Boggs, J.E.³

32
- 5844257023
- J. Szczepanski, M. Vala, D. Talbi, O. Parisel and Y. Ellinger, J. Chem. Phys. 98 (1993) 4494.
- (1993) J. Chem. Phys. , vol.98 , pp. 4494
- Szczepanski, J.¹ Vala, M.² Talbi, D.³ Parisel, O.⁴ Ellinger, Y.⁵

33
- 0039685199
- Academic Press, New York
- B.S. Hudson and L.D. Ziegler, The vibronic spectroscopy of benzene: old problems and new techniques, Vol. 5 (Academic Press, New York, 1982) pp. 41-140.
- (1982) The Vibronic Spectroscopy of Benzene: Old Problems and New Techniques , vol.5 , pp. 41-140
- Hudson, B.S.¹ Ziegler, L.D.²

34
- 0040276974
- K. Krogh-Jespersen, R.P. Rava and L. Goodman, J. Chem. Phys. 88 (1984) 5503.
- (1984) J. Chem. Phys. , vol.88 , pp. 5503
- Krogh-Jespersen, K.¹ Rava, R.P.² Goodman, L.³

35
- 36749111520
- S.M. Beck, J.B. Hopkins, D.E. Powers and R.E. Smalley, J. Chem. Phys. 74 (1981) 43.
- (1981) J. Chem. Phys. , vol.74 , pp. 43
- Beck, S.M.¹ Hopkins, J.B.² Powers, D.E.³ Smalley, R.E.⁴

36
- 0030197803
- G. Jas, C. Wan, K. Kuczera and C.K. Johnson, J. Phys. Chem. 100 (1996) 11857.
- (1996) J. Phys. Chem. , vol.100 , pp. 11857
- Jas, G.¹ Wan, C.² Kuczera, K.³ Johnson, C.K.⁴

37
- 0000864372
- S. Kato, J. Chem. Phys. 88 (1988) 3045.
- (1988) J. Chem. Phys. , vol.88 , pp. 3045
- Kato, S.¹

38
- 0004133516
- Gaussian, Inc., Pittsburgh, PA
- C.M.J. Frisch, G.W. Trucks, M. Head-Gordon, P.M.W. Gill, M.W. Wong, J.B. Foresman, B.G. Johnson, H.B. Schlegel, M.A. Robb, 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 C (Gaussian, Inc., Pittsburgh, PA, 1992).
- (1992) GAUSSIAN92, Revision C
- Frisch, C.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.L.¹⁶ Fox, D.J.¹⁷ DeFrees, D.J.¹⁸ Baker, J.¹⁹ Stewart, J.J.P.²⁰ Pople, J.A.²¹ more..

39
- 36148995600
- A.E. Reed, R.B. Weinstock and F. Weinhold, J. Chem. Phys. 83 (1985) 735.
- (1985) J. Chem. Phys. , vol.83 , pp. 735
- Reed, A.E.¹ Weinstock, R.B.² Weinhold, F.³

40
- 36849128734
- R.S. Mulliken, J. Chem. Phys. 23 (1955) 1997.
- (1955) J. Chem. Phys. , vol.23 , pp. 1997
- Mulliken, R.S.¹

41
- 36849142111
- R. Pariser, J. Chem. Phys. 24 (1956) 250.
- (1956) J. Chem. Phys. , vol.24 , pp. 250
- Pariser, R.¹

42
- 0040871266
- Program available from authors upon request
- K. Kuczera and J. Wiorkiewicz-Kuczera, MOLVIB - a program for analysis of molecular vibrational spectra. Program available from authors upon request.
- MOLVIB - A Program for Analysis of Molecular Vibrational Spectra
- Kuczera, K.¹ Wiorkiewicz-Kuczera, J.²

43
- 49649157275
- G. Keresztury and G. Jalosovszky, J. Mol. Struct. 10 (1971) 304.
- (1971) J. Mol. Struct. , vol.10 , pp. 304
- Keresztury, G.¹ Jalosovszky, G.²

44
- 0040871270
- A.J.P. Alix, Spectrosc. Lett. 14 (1981) 441.
- (1981) Spectrosc. Lett. , vol.14 , pp. 441
- Alix, A.J.P.¹

45
- 0040871271
- K. Kimura and M. Kubo, J. Chem. Phys. 32 (1960) 1776.
- (1960) J. Chem. Phys. , vol.32 , pp. 1776
- Kimura, K.¹ Kubo, M.²

46
- 0000449945
- D.W.J. Cruickshank, Acta Cryst. 9 (1956) 915.
- (1956) Acta Cryst. , vol.9 , pp. 915
- Cruickshank, D.W.J.¹

47
- 0000128575
- D.W.J. Cruickshank, Acta Cryst. 10 (1957) 504.
- (1957) Acta Cryst. , vol.10 , pp. 504
- Cruickshank, D.W.J.¹

48
- 0013647729
- R.C. Haddon and R. Krishnan, J. Chem. Phys. 79 (1983) 1093.
- (1983) J. Chem. Phys. , vol.79 , pp. 1093
- Haddon, R.C.¹ Krishnan, R.²

49
- 0001759818
- J.M.O. Matos and B.O. Roos, Theor. Chim. Acta 74 (1988) 363.
- (1988) Theor. Chim. Acta , vol.74 , pp. 363
- Matos, J.M.O.¹ Roos, B.O.²

50
- 0040871269
- L.W. Peng, B.W. Keelan, D.H. Semmes and A.H. Zewail, J. Phys. Chem. 92 (1988) 5540.
- (1988) J. Phys. Chem. , vol.92 , pp. 5540
- Peng, L.W.¹ Keelan, B.W.² Semmes, D.H.³ Zewail, A.H.⁴

51
- 0002259078
- G. Atkinson and C.S. Parmenter, J. Mol. Spectrosc. 73 (1978) 20.
- (1978) J. Mol. Spectrosc. , vol.73 , pp. 20
- Atkinson, G.¹ Parmenter, C.S.²

52
- 0040276973
- PhD thesis, University of Kansas
- G. Jas, PhD thesis, University of Kansas (1995).
- (1995)
- Jas, G.¹

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