Quantum chemical study of water adsorption at the NaCl(100) surface

Surface Science

Volumn 371, Issue 1, 1997, Pages 95-99

  Jug, Karl ^a   Geudtner, Gerald ^a  

^a LEIBNIZ UNIVERSITY HANNOVER   (Germany)

Author keywords

Ab initio quantum chemical methods and calculations; Adsorption kinetics; Water

Indexed keywords

CALCULATIONS; MOLECULES; MONOLAYERS; QUANTUM THEORY; REACTION KINETICS; SODIUM CHLORIDE; SURFACES; WATER;

AB INITIO QUANTUM CHEMICAL METHODS; ADSORPTION ENERGY; ADSORPTION STRUCTURE;

ADSORPTION;

EID: 0030862222     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(96)00980-6     Document Type: Article

References (15)

1. J. Estel, H. Hoinkes, H. Kaarmann, H. Nahr and H. Welsch, Surf. Sci. 54 (1976) 393.
2. J. Heidberg and W. Häser, J. Electron Spectrosc. Relat. Phenom. 54/55 (1990) 971.
3. S. Fölsch, A. Stock and M. Henzler, Surf. Sci. 264 (1992) 65; M. Henzler, A. Stock and M. Böl, in: Adsorption on Ordered Surfaces of Ionic Solids and Thin Films, Eds. H.-J. Freund and E. Umbach (Springer, Berlin, 1993) pp. 15ff.
4. S. Fölsch, A. Stock and M. Henzler, Surf. Sci. 264 (1992) 65; M. Henzler, A. Stock and M. Böl, in: Adsorption on Ordered Surfaces of Ionic Solids and Thin Films, Eds. H.-J. Freund and E. Umbach (Springer, Berlin, 1993) pp. 15ff.
5. L.W. Bruch, A. Glebov, J.P. Toennies and H. Weiss, J. Chem. Phys. 103 (1995) 5109.
6. D.N. Nanda and K. Jug, Theor. Chim. Acta 57 (1980) 95.
7. K. Jug, R. Iffert and J. Schulz, Int. J. Quantum Chem. 32 (1987) 265.
8. K. Jug, G. Geudtner and T. Bredow, J. Mol. Catal. 82 (1993) 171.
9. T.P. Martin, Phys. Rep. 95 (1983) 167; J. Deifenbach and T.P. Martin, J. Chem. Phys. 83 (1985) 4585; N. Philipps, C.W.S. Conover and L.A. Bloomfleld, J. Chem. Phys. 94 (1991) 4980; L.A. Bloomfield, C.W.S. Conover, Y.A. Yang, Y.T. Twu and N.G. Philipps, Z. Phys. D 20 (1991) 93.
10. T.P. Martin, Phys. Rep. 95 (1983) 167; J. Deifenbach and T.P. Martin, J. Chem. Phys. 83 (1985) 4585; N. Philipps, C.W.S. Conover and L.A. Bloomfleld, J. Chem. Phys. 94 (1991) 4980; L.A. Bloomfield, C.W.S. Conover, Y.A. Yang, Y.T. Twu and N.G. Philipps, Z. Phys. D 20 (1991) 93.
11. T.P. Martin, Phys. Rep. 95 (1983) 167; J. Deifenbach and T.P. Martin, J. Chem. Phys. 83 (1985) 4585; N. Philipps, C.W.S. Conover and L.A. Bloomfleld, J. Chem. Phys. 94 (1991) 4980; L.A. Bloomfield, C.W.S. Conover, Y.A. Yang, Y.T. Twu and N.G. Philipps, Z. Phys. D 20 (1991) 93.
12. T.P. Martin, Phys. Rep. 95 (1983) 167; J. Deifenbach and T.P. Martin, J. Chem. Phys. 83 (1985) 4585; N. Philipps, C.W.S. Conover and L.A. Bloomfleld, J. Chem. Phys. 94 (1991) 4980; L.A. Bloomfield, C.W.S. Conover, Y.A. Yang, Y.T. Twu and N.G. Philipps, Z. Phys. D 20 (1991) 93.
13. C. Ochsenfeld and R. Ahlrichs, J. Chem. Phys. 97 (1992) 3487.
14. K. Jug and G. Geudtner, Chem. Phys. Lett. 208 (1993) 537.
15. K. Jug and G. Geudtner, J. Comput. Chem. 14 (1993) 639.