Molecular mechanics study of hydrogen bonded self-assembled adenine monolayers on graphite

Surface Science

Volumn 417, Issue 2-3, 1998, Pages 201-209

  Edelwirth, M ^a   Freund, J ^a   Sowerby, S J ^a   Heckl, W M ^a  

^a UNIVERSITY OF MUNICH   (Germany)

Author keywords

Hydrogen bonds; MM simulators; Organic monolayers; Self assembly

Indexed keywords

COMPUTER SIMULATION; ELECTROCHEMISTRY; GRAPHITE; HYDROGEN BONDS; LOW ENERGY ELECTRON DIFFRACTION; MATHEMATICAL MODELS; MONOLAYERS; SCANNING TUNNELING MICROSCOPY;

ADENINE; ENERGY MINIMIZATION CALCULATIONS; SELF ASSEMBLED MONOLAYER;

MOLECULAR DYNAMICS;

EID: 0032206324     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(98)00576-7     Document Type: Article

References (29)

1. C. Nicolini, Thin Solid Films 1 (1996) 284-285.
2. V.A. Russell, M.D. Ward, Chem. Mater. 8 (1996) 1654.
3. W. Saenger, Principles of Nucleic Acid Structure, Springer, Berlin, 1984.
4. M.H. Saffarian, R. Sridharan, J. de Levi, J. Electroanal. Chem. 218 (1987) 273.
5. R. Srinavasan, J.C. Murphy, R.a.N. Fainchtein, J. Pattibiraman, J. Electroanal. Chem. 312 (1991) 293.
6. T. Dretschkow, A.S. Dakkouri, W.T. Wandlowski, Langmuir 13 (1997) 2843.
7. M.J. Allen, M. Balooch, S. Subbiah, R.J. Tench, W. Siekhaus, R. Balhom, Scanning Microscopy 5 (1991) 625.
8. W.M. Heckl, D.P.E. Smith, G. Binnig, H. Klagges, T.W. Häinsch, J. Maddocks, Proc. Natl Acad. Sci. USA 88 (1991) 8003.
9. J.E. Freund, M. Edelwirth, P. Kröbel, W.M. Heckl, Phys. Rev. B 55 (1997) 5394.
10. S.J. Sowerby, W.M. Heckl, Evol. Biosphere (1997) accepted.
11. G.A. Jeffrey, W. Saenger, Hydrogen Bonding in Biological Structures, Springer, Berlin, 1994.
12. A.J. Pertsin, A.I. Kitaigorodsky, The Atom-Atom Potential Method, Springer, Berlin, 1987.
13. D.H. Gay, A.L. Rohl, J. Chem. Soc. Faraday Trans. 91 (1995) 925.
14. W.A. Steele, The Interaction of Gases with Solid Surfaces, Pergamon, New York, 1974.
15. W.R. Hammond, S.D. Mahanti, Surf. Sci. 234 (1990) 308.
16. C. Seidel, C. Awater, X.D. Liu, R. Ellerbrake, H. Fuchs, Surf. Sci. 371 (1997) 123.
17. S.L. Mayo, B.D. Olafson, W.A. Goddard, J. Phys. Chem. 94 (1990) 8897.
18. W.D. Comell, P. Cieplak, C.I. Bayly, I.R. Gould, K.M. Merz, D.M. Ferguson, D.C. Spellmeyer, T. Fox, J.W. Caldwell, P.A. Kollman, J. Am. Chem. Soc. 117 (1995) 5179.
19. P. Hobza, M. Kabelác, J. Sponer, P. Mejzlík, J. Vondrásek, J. Comput. Chem. 18 (1997) 1136.
20. E.M. Purcell, Electricity and Magnetism, McGraw-Hill, New York, 1965.
21. J.J.P. Stewart, Quantum Chemistry Program Exchange, First Edition, May 93, Fijitsu Ltd., 1993.
22. M.J.S. Dewar, E.G. Zoebisch, E.F. Healy, J.J.P. Stewart, J. Am. Chem. Soc. 107 (1985) 3092.
23. J.J.P. Stewart, J. Comput. Chem. 10 (1989) 209.
24. I. Alkorta, H.O. Villar, G.A. Arteca, J. Comp. Chem. 14 (1993) 530.
25. B.H. Besler, K.M. Merz, P.A. Kollman, J. Comp. Chem. 11 (1990) 431.
26. E.L. Stewart, C.K. Foley, N.L. Allinger, J.P. Bowen, J. Am. Chem. Soc. 116 (1994) 7282.
27. N.J. Tao, Z. Shi, J. Phys. Chem. 98 (1994) 1464.
28. J. Freund, PhD Thesis, Ludwig Maximilians Universität München, 1998.
29. P. Hobza, F. Hubálek, M. Kabelác, P. Mejzlík, J. Sponer, J. Vondrásek, Chem. Phys. Lett. 257 (1996) 31.