Хімія, фізика та технологія поверхні, 2010, 1 (1), 5–18.

Квантово-хімічний аналіз адсорбції і механізмів хімічних реакцій на поверхні твердих тіл



V. M. Gun'ko

Анотація


Виконано аналіз неемпіричних, ТФГ і напівемпіричних квантово-хімічних підходів в дослідженнях адсорбції і механізмів хімічних реакцій на поверхні твердих тіл.

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Iler R K, The Chemistry of Silica: Solubility, Polymerization, Colloid and Surface Properties and Biochemistry of Silica, John Wiley & Sons Inc.: NY, 1979.

Legrand A P, The Surface Properties of Silicas, John Wiley & Sons Inc.: NY, 1998.

Chuiko A A, Chemistry of Silica Surfaces, UkrINTEI: Kyiv, 2001. (in Russian).

Do D D, Adsorption Analysis: Equilibria and Kinetics, Imperial College Press: London.

Karnaukhov A P, Adsorption. Texture of Disperse and Porous Materials, Nauka: Novosibirsk, 1999. (in Russian).

Schwarz J A, Contescu C I, Surfaces of Nanoparticles and Porous Materials, Marcel Dekker: NY, 1999.

Wadley H N G., Zhou X, Johnson R A, Neurock M, Prog. Mater Sci., 2001, 46, 329.

Bittner A M, Surf. Sci. Rep., 2006, 61, 383.

Gun’ko V M, Turov V V, Gorbik P P, Water at Interface, Naukova Dumka: Kiev, 2009. (in Russian).

Blitz J P, Gun'ko V M, in Encyclopedia of Surface and Colloid Science, Taylor & Francis: NY, 2006, 3192.

Gun’ko V M, Theor. Exp. Chem., 2007, 43(3), 139.

Gun’ko V M, in: Chuiko A A (Ed.) Chemistry of Silica Surfaces, UkrINTEI: Kyiv, 2001, 29. (in Russian).

Gun'ko V M, Vedamuthu M S, Henderson G L, Blitz J P, J. Colloid Interface Sci., 2000, 228(1), 157.

Gun'ko V M, in: J P Blitz, C Little (Eds.), Fundamental and Applied Aspects of Chemically Modified Surfaces, Royal Soc. Chem: Cambridge, 1999, 270.

Gun’ko V M, Turov, V V, Langmuir, 1999, 15(19), 6405.

Gun’ko V M, Theor. Exp. Chem., 2000, 36(1), 1.

Gun'ko V M, Sheeran D J, Augustine S M, Blitz J P, J. Colloid Interface Sci., 2002, 249(1), 123.

Gun'ko V M, Bandosz T J, Phys. Chem. Chem. Phys., 2003, 5, 2096.

Gun'ko V M, Turov V V, Bogatyrev V M, Zarko V I, Leboda R, Goncharuk E V, Novza A A, Turov A V, Chuiko A A, Adv. Colloid Interface Sci., 2005, 118(1–3), 125.

Gun'ko V M, Chuiko A A, in: H E Bergna (Ed.), Colloidal Silica: Fundamentals and Applications, Taylor & Francis LLC: Salisbury, 2005, 465.

Gun'ko V M, Zarko V I, Goncharuk E V, Andriyko L S, Turov V V, Nychiporuk Y M, Leboda R, Skubiszewska-Zięba J, Gabchak A L, Osovskii V D, et al., Adv. Colloid Interface Sci., 2007, 131(1-2), 1.

Gun'ko V M, Mikhalovsky S V, Mikhalovska L I, et al. in: A P Shpak, P P Gorbik, (Eds.) Nanomaterials and Supramolecular Structures, Springer: NY, 2009, 383.

Blitz J P, Christensen J M, Gun'ko V M, J. Nanosci. Nanotechnol., 2008, 8, 660.

Gude K, Gun'ko V M, Blitz J P, Colloids Surf. A., 2008, 325, 17.

Frei R, Blitz J P, Gun’ko V M, Frost B E, Sergeev V S, J. Phys. Chem. A., 2009, 113, 6612.

Gun'ko V M, Zarko V I, Turov V V, Oranska O I, Goncharuk E V, Nychiporuk Y M, Pakhlov E M, Yurchenko G R, Leboda R, Skubiszewska-Zięba J, et al., Powder Technol., 2009, 195, 245.

Frisch M J, Trucks G W, Schlegel H B, et al., Gaussian 03, Revision E.01, Gaussian Inc.: Wallingford, 2004.

Schmidt M W, Baldridge K K, Boatz J A, et al., J. Comput. Chem., 1993, 14, 1347.

Gordon M S, Schmidt M W, in: C E Dykstra, G Frenking, K S Kim, G E Scuseria (Eds.), Theory and Applications of Computational Chemistry: the First Forty Years, Elsevier: Amsterdam, 2005, 1167.

Granovsky A A, Firefly version 7.1, http:// classic.chem.msu.su/gran/gamess/index.html.

Bylaska E J, de Jong W A, Govind N, et al. NWChem A Computational Chemistry Package for Parallel Computers, Version 5.1, Pacific Northwest National Laboratory, Richland, 2007.

Xidos J D, Li J, Zhu T, et al. GAMESOL, Version 3.1, University of Minnesota: Minneapolis, 2002.

Stewart J J P, MOPAC2009, http:// openmopac.net.

Jamorski C, Casida M E, Salahub D R, J. Chem. Phys., 1996, 104, 5134.

Hirata S, Head-Gordon M, Chem. Phys. Lett., 1999, 314, 291.

Rocha G B, Freire R O, Simas A M, Stewart J J P, J. Comp. Chem., 2006, 27, 1101.

Somayajulu G R, J. Chem. Eng. Data, 1989, 34, 106.

Fukuda T, Ishii K, Kurosu Sh, Whitby R, Maekawa T, Nanotechnology, 2007, 18, 14561.

Jamieson C S, Mebel A M, Kaiser R I, Astrophys. J, Suppl. Ser., 2006, 163, 184.

Ferreira Coelho L A, Marchut A, de Oliveira J V, Balbuena P B, Ind. Eng. Chem. Res., 2000, 39, 227.

Gun’ko V M, Bogatyrev V M, Borysenko M V, et al., Appl. Surf. Sci., 2009, Doi: 10.1016/j.apsusc.2009.12.115.




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