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Journal of Molecular Structure: THEOCHEM

Volumn 629, Issue 1-3, 2003, Pages 251-261

Cluster model DFT study of acetylene adsorption on the Cu (100) surface

(2) Bernardo, C G P M a Gomes, J A N F a

a UNIVERSITY OF PORTO (Portugal)

Author keywords

Chemisorption; Clusters; Density functional calculations; Single crystal surfaces; Vibrations of adsorbed molecules

Indexed keywords

ACETYLENE; COPPER;

ADSORPTION; ARTICLE; CRYSTAL STRUCTURE; DENSITY; GEOMETRY; MOLECULAR MODEL; SCANNING TUNNELING MICROSCOPY; SURFACE PROPERTY; THEORY; VIBRATION;

EID: 0042473889 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(03)00194-5 Document Type: Article

Times cited : (12)

References (36)

1
- 0002031305
- B.J. Bandy, M.A. Chesters, M.E. Pemble, G.S. McDougall, N. Sheppard, Surf. Sci. 139 (1984) 87.
- (1984) Surf. Sci. , vol.139 , pp. 87
- Bandy, B.J.¹ Chesters, M.A.² Pemble, M.E.³ McDougall, G.S.⁴ Sheppard, N.⁵

2
- 0001476855
- D. Fuhrmann, D. Wacker, K. Weiss, K. Hermann, M. Witko, Ch. Wöll, J. Chem. Phys. 108 (1998) 2651.
- (1998) J. Chem. Phys. , vol.108 , pp. 2651
- Fuhrmann, D.¹ Wacker, D.² Weiss, K.³ Hermann, K.⁴ Witko, M.⁵ Wöll, Ch.⁶

3
- 0027623954
- S. Bao, K.-M. Schindler, Ph. Hofmann, V. Fritzsche, A.M. Bradshaw, D.P. Woodruff, Surf. Sci. 291 (1993) 295.
- (1993) Surf. Sci. , vol.291 , pp. 295
- Bao, S.¹ Schindler, K.-M.² Hofmann, Ph.³ Fritzsche, V.⁴ Bradshaw, A.M.⁵ Woodruff, D.P.⁶

4
- 0029373754
- K. Hermann, M. Witko, Surf. Sci. 337 (1995) 205.
- (1995) Surf. Sci. , vol.337 , pp. 205
- Hermann, K.¹ Witko, M.²

5
- 4344654298
- K. Hermann, M. Witko, A. Michalak, Z. Phys. Chem. 197 (1996) 219.
- (1996) Z. Phys. Chem. , vol.197 , pp. 219
- Hermann, K.¹ Witko, M.² Michalak, A.³

6
- 0343886667
- M. Witko, K. Hermann, Appl. Catal. A 172 (1998) 85.
- (1998) Appl. Catal. A , vol.172 , pp. 85
- Witko, M.¹ Hermann, K.²

7
- 0041531441
- D.A. Outka, C.M. Friend, S. Jorgensen, R.J. Madix, J. Am. Chem. Soc. 105 (1983) 3468.
- (1983) J. Am. Chem. Soc. , vol.105 , pp. 3468
- Outka, D.A.¹ Friend, C.M.² Jorgensen, S.³ Madix, R.J.⁴

8
- 4243898519
- J.R. Lomas, C.J. Baddeley, M.S. Tikhov, R.M. Lambert, G. Pacchioni, Langmuir 13 (1997) 758.
- (1997) Langmuir , vol.13 , pp. 758
- Lomas, J.R.¹ Baddeley, C.J.² Tikhov, M.S.³ Lambert, R.M.⁴ Pacchioni, G.⁵

9
- 33845377229
- N.R. Avery, J. Am. Chem. Soc. 107 (1985) 6711.
- (1985) J. Am. Chem. Soc. , vol.107 , pp. 6711
- Avery, N.R.¹

10
- 0030244199
- X.F. Hu, C.J. Chen, J.C. Tang, Surf. Sci. 365 (1996) 319.
- (1996) Surf. Sci. , vol.365 , pp. 319
- Hu, X.F.¹ Chen, C.J.² Tang, J.C.³

11
- 0000012437
- D. Arvanitis, U. Döbler, L. Wenzel, K. Baberschke, Surf. Sci. 178 (1986) 686.
- (1986) Surf. Sci. , vol.178 , pp. 686
- Arvanitis, D.¹ Döbler, U.² Wenzel, L.³ Baberschke, K.⁴

12
- 0000852177
- D. Arvanitis, K. Baberschke, L. Wenzel, U. Döbler, Phys. Rev. Lett. 57 (1986) 3175.
- (1986) Phys. Rev. Lett. , vol.57 , pp. 3175
- Arvanitis, D.¹ Baberschke, K.² Wenzel, L.³ Döbler, U.⁴

13
- 0000011735
- D. Arvanitis, L. Wenzel, K. Baberschke, Phys. Rev. Lett. 59 (1987) 2435.
- (1987) Phys. Rev. Lett. , vol.59 , pp. 2435
- Arvanitis, D.¹ Wenzel, L.² Baberschke, K.³

14
- 0011632026
- P. Geurts, A. Van Der Avoird, Surf. Sci. 103 (1981) 416.
- (1981) Surf. Sci. , vol.103 , pp. 416
- Geurts, P.¹ Van Der Avoird, A.²

15
- 0004358760
- Y.T. Wong, R. Hoffmann, J. Chem. Soc. Faraday Trans. 86 (1990) 553.
- (1990) J. Chem. Soc. Faraday Trans. , vol.86 , pp. 553
- Wong, Y.T.¹ Hoffmann, R.²

16
- 0002180462
- Ts.S. Marinova, P. K, Stefanov, Surf. Sci. 191 (1987) 66.
- (1987) Surf. Sci. , vol.191 , pp. 66
- Marinova, Ts.S.¹ Stefanov, P.K.²

17
- 0000916412
- B.C. Stipe, M.A. Rezaei, W. Ho, Phys. Rev. Lett. 81 (1998) 1263.
- (1998) Phys. Rev. Lett. , vol.81 , pp. 1263
- Stipe, B.C.¹ Rezaei, M.A.² Ho, W.³

18
- 0032511039
- B.C. Stipe, M.A. Rezaei, W. Ho, Science 280 (1998) 1732.
- (1998) Science , vol.280 , pp. 1732
- Stipe, B.C.¹ Rezaei, M.A.² Ho, W.³

19
- 0001426926
- B.C. Stipe, M.A. Rezaei, W. Ho, Phys. Rev. Lett. 82 (1999) 1724.
- (1999) Phys. Rev. Lett. , vol.82 , pp. 1724
- Stipe, B.C.¹ Rezaei, M.A.² Ho, W.³

20
- 0000455224
- L.J. Lauhon, W. Ho, J. Chem. Phys. 111 (1999) 5633.
- (1999) J. Chem. Phys. , vol.111 , pp. 5633
- Lauhon, L.J.¹ Ho, W.²

21
- 0037922963
- J. Dvorak, J. Hrbek, J. Chem. Phys. B 102 (1998) 9443.
- (1998) J. Chem. Phys. B , vol.102 , pp. 9443
- Dvorak, J.¹ Hrbek, J.²

22
- 0042533427
- M.A. Chaer Nascimento (Ed.), Kluwer Academic Publishers, Dordrecht
- C.G.P.M. Bernardo, J.A.N.F. Gomes, in: M.A. Chaer Nascimento (Ed.), Theoretical Aspects of Heterogeneous Catalysis, Progress in Theoretical Chemistry and Physics, Series 8, Kluwer Academic Publishers, Dordrecht, 2001.
- (2001) Theoretical Aspects of Heterogeneous Catalysis, Progress in Theoretical Chemistry and Physics, Series 8
- Bernardo, C.G.P.M.¹ Gomes, J.A.N.F.²

23
- 0001326878
- C. Minot, A. Markovits, J. Mol. Struct. 424 (1998) 119.
- (1998) J. Mol. Struct. , vol.424 , pp. 119
- Minot, C.¹ Markovits, A.²

24
- 0031042993
- R.A. van Santen, J. Mol. Catal. A: Chem. 115 (1997) 405.
- (1997) J. Mol. Catal. A: Chem. , vol.115 , pp. 405
- Van Santen, R.A.¹

25
- 0010505803
- J.L. Whitten, Chem. Phys. 177 (1993) 387.
- (1993) Chem. Phys. , vol.177 , pp. 387
- Whitten, J.L.¹

26
- 0000257605
- references therein
- N. Govind, Y.A. Wang, E.A. Carter, J. Chem. Phys. 110 (1999) 7677 references therein.
- (1999) J. Chem. Phys. , vol.110 , pp. 7677
- Govind, N.¹ Wang, Y.A.² Carter, E.A.³

27
- 84881454506
- Gaussian Inc., Pittsburgh PA
- M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery, R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P.M.W. Gill, B.G. Johnson, W. Chen, M.W. Wong, J.L. Andres, M. Head-Gordon, E.S. Replogle, J.A. Pople, GAUSSIAN 98, Revision A.1, Gaussian Inc., Pittsburgh PA, 1998
- (1998) GAUSSIAN 98, Revision A.1
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³ Scuseria, G.E.⁴ Robb, M.A.⁵ Cheeseman, J.R.⁶ Zakrzewski, V.G.⁷ Montgomery, J.A.⁸ Stratmann, R.E.⁹ Burant, J.C.¹⁰ Dapprich, S.¹¹ Millam, J.M.¹² Daniels, A.D.¹³ Kudin, K.N.¹⁴ Strain, M.C.¹⁵ Farkas, O.¹⁶ Tomasi, J.¹⁷ Barone, V.¹⁸ Cossi, M.¹⁹ Cammi, R.²⁰ more..

28
- 0000189651
- A.D. Becke, J. Chem. Phys. 98 (1993) 5648.
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

29
- 0345491105
- C. Lee, W. Yang, R.G. Parr, Phys. Rev. B. 37 (1980) 785.
- (1980) Phys. Rev. B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

30
- 33745770836
- P.J. Hay, W.R. Wadt, J. Chem. Phys. 82 (1985) 270.
- (1985) J. Chem. Phys. , vol.82 , pp. 270
- Hay, P.J.¹ Wadt, W.R.²

31
- 0003631340
- Plenum Press, New York
- G. Pacchioni, P.S. Bagus, F. Parmigiani (Eds.), Cluster Models for Surface and Bulk Phenomena, NATO ASI Series B, vol. 283, Plenum Press, New York, 1992.
- (1992) Cluster Models for Surface and Bulk Phenomena, NATO ASI Series B , vol.283
- Pacchioni, G.¹ Bagus, P.S.² Parmigiani, F.³

32
- 0000854653
- K. Hermann, P.S. Bagus, C.J. Nelin, Phys. Rev. B 35 (1987) 9467.
- (1987) Phys. Rev. B , vol.35 , pp. 9467
- Hermann, K.¹ Bagus, P.S.² Nelin, C.J.³

33
- 0030083321
- A. Clotet, G. Pacchioni, Surf. Sci. 346 (1996) 91.
- (1996) Surf. Sci. , vol.346 , pp. 91
- Clotet, A.¹ Pacchioni, G.²

34
- 0000922191
- L. Triguero, L.G.M. Pettersson, B. Minaev, H. Agren, J. Chem. Phys. 108 (1998) 1193.
- (1998) J. Chem. Phys. , vol.108 , pp. 1193
- Triguero, L.¹ Pettersson, L.G.M.² Minaev, B.³ Agren, H.⁴

35
- 0003969438
- The Chemical Society, Burlington House, London
- Tables of Interatomic Distances and Configuration in Molecules and Ions, The Chemical Society, Burlington House, London (1965).
- (1965) Tables of Interatomic Distances and Configuration in Molecules and Ions

36
- 2342653797
- Van Nostrand Reinhold Company Inc. New York
- G. Herzberg, Molecular Spectra and Molecular Structure, Infrared and Raman Spectra of Polyatomic Molecules, vol II, Van Nostrand Reinhold Company Inc. New York, 1945.
- (1945) Molecular Spectra and Molecular Structure, Infrared and Raman Spectra of Polyatomic Molecules , vol.2
- Herzberg, G.¹

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