Fumed silica particles/polydimethylsiloxane oligomers interface. I. Quantum-chemical modelling of particle surface. Cubic packing

Physics of Low-Dimensional Structures

Volumn 1998, Issue 5-6, 1998, Pages 1-30

  Khavryutchenko, V D ^a,b   Nikitina, E A ^c   Sheka, E F ^d   Barthel, H ^e   Weis, J ^e  

^a JOINT INSTITUTE FOR NUCLEAR RESEARCH   (Russian Federation)

^b INSTITUTE OF SURFACE CHEMISTRY   (Ukraine)

^c INSTITUTE OF APPLIED MECHANICS   (Russian Federation)

^d PEOPLES FRIENDSHIP UNIVERSITY OF RUSSIA   (Russian Federation)

^e WACKER CHEMIE AG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 3042914040     PISSN: 02043467     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (36)

1. H. Barthel, L. Roesch, J. Weis, Organosilicon Chemistry II, Eds. N. Auner and J. Weis Weinheim: VCH, 1996, p.761.
2. E. Sheka, V. Khavryutchenko, E. Nikitina, H. Barthel, Annual Report 1996, JINR.
3. E.A. Nikitina, V.D. Khavryutchenko, E.F. Sheka, H. Barthel, Program and Abstract Book of ICSOS-5, The 5th International Conference on Surface Structure, Aex en Provance, France, July, 8-11, 1996, Tu.023.P2.
4. H. Barthel, L. Roesch, J. Weis, Surf. Rev. Lett., (1997), in press
5. E. Papirer, H. Balard, H. Barthel, L. Roesch, J. Weiss, Comp. Interf., (1997), in press
6. A. Khalfi, E. Papirer, H. Balard, H. Barthel, and M. Heinemann, J. Coll. Interf. Sci., 184 (1996) 586.
7. A. Khalfi, E. Papirer, H. Balard, H. Barthel, M. Heinemann, J. Weis, Composite Interfaces, (1997), in press
8. E.F. Sheka, V.D. Khavryutchenko, E.A. Nikitina, Phys. Low-Dim. Struct., 1 (1995) 1.
9. E.F. Sheka, V.D. Khavryutchenko, I.V. Markichev, Russ. Chem. Rev., 64 (1995) 389.
10. E. Sheka, V. Khavryutchenko, E. Nikitina, I. Natkaniec, I. Markichev, N. Goncharova, V. Chukalin, J. Electr. Spectr. Rel. Phenom., 67 (1994) 133.
11. V. Khavryutchenko, E. Sheka, M. Aono, D.H. Huang, Phys. Low-Dim. Struct., 12 (1995) 349.
12. V.D. Khavryutchenko, A.V. Khavryutchenko, DYQUAMOD. Dynamical-Quantum Modeling Software for Personal Computers, (Joint Institute for Nuclear Researches, Dubna and Institute of Surface Chemistry, Nat. Ac. Sci. of Ukraine, Kiev, (1993)).
13. V.A. Zayetz, CLUSTER-Z1. Quantum Chemical Software, (Institute of Surface Chemistry, Nat.Ac.Sci. of Ukraine, Kiev, (1990)).
14. V.D. Khavryutchenko, COSPECO. Computational Vibrational Spectroscopy Software, (Institute of Surface Chemistry, Nat.Ac.Sci. of Ukraine, Kiev, (1990)).
15. M.J.S. Dewar, E.G. Zoebisch, E.F. Healy, J.J.P. Stewart, J. Amer. Chem. Soc., 107 (1985) 3902.
16. J.J.P. Stewart. J. Comput. Chem., 10 (1989) 209.
17. A.V. Khavryutchenko, Molecular Viewing Software for WINDOS-NT for Personal Computers MOLVIEW, (Kiev State University, Kiev, (1996)).
18. V.D. Khavryutchenko, A.V. Khavryutchenko, Distribution Function Analysis Software PARTF for Personal Computers, (Joint Institute for Nuclear Researchs, Dubna, (1995)).
19. V.D. Khavryutchenko, Graphic Building Software for Personal Computers BLDG, (Institute of Surface Chemistry, Nat.Ac.Sci. of Ukraine, Kiev, (1993)).
20. V.D. Khavryutchenko, IR Spectra Building Software for Personal Computers IRG, (Institute of Surface Chemistry, Nat.Ac.Sci. of Ukraine, Kiev, (1993)).
21. V.D. Khavryutchenko, Vibrational Spectra Assignment Software for Personal Computers ASSV, (Joint Institute for Nuclear Researches, Dubna, (1996)).
22. T. Klark, A Handbook of Computational Chemistry, New York: Wiley, 1985.
23. V.D. Khavryutchenko, E.F. Sheka, Phys. Low-Dim. Struct., 4/5 (1995) 99.
24. K.B. Wiberg, Tetrahedron, 24 (1968) 1083.
25. V.A. Tyertykh, L.A. Belyakova, Chemical Reactions on Silica Surface, (in Russian), Kiev, Naukova Dumka, 1991.
26. R.K. Iler, The Chemistry of Silica. Solubility. Polymerization. Colloid and Surface Properties and Biochemistry, New York: Wiley-Interscience, 1979.
27. J.P. LaFemina, Surf. Sci. Rep., 16 (1992) 133.
28. V.D. Khavryutchenko, E.A. Nikitina, E.F. Sheka, H. Barthel, J. Weis, to be published.
29. V. Gavrilenko, A. Grechov, D. Korbutyak, V. Litovchenko, A Handbook of Semiconductor Optical Properties, (in Rusian), Kiev, Naukova Dumka, 1987.
30. V.D. Khavryutchenko, E.A. Nikitina, E.F. Sheka, H. Barthel. J. Weis, to be published.
31. A.A. Chuyko, Yu.I. Gorlov, The Chemistry of the Silica Surface: Structure of the Surface, Active Centers, Mechanism of Sorption, (in Rusian), Kiev, Naukova Dumka, 1992.
32. J. Sauer, P. Ugliengo, E. Garrone, V. Saunders, Chem. Rev., 94 (1994) 2095.
33. M. Zaborski, A. Vidal, G. Ligner, H. Balard, E. Papirer, A. Burneau, Langmuir, 5 (1989) 447.
34. H. Barthel, Internal Report Wacker-Chemie GmbH, 1996.
35. I.J.P. Larsen, O. Schou, Chromatogr., 16 (1982) 204.
36. V.I. Zarko, L.A. Belyakova, A.V. Simurov, O.V. Guljko, Zhurn. Fiz. Khimii, 69 (1995) 2021, (in Russian).