DEFORMATION OF POLY(DIMETHYLSILOXANE) OLIGOMERS UNDER UNIAXIAL TENSION: QUANTUM CHEMICAL VIEW Article Nikitina E.A., Khavryutchenko V.D., Sheka E.F., Barthel H., Weis J. Journal of Physical Chemistry A. American Chemical Society. Vol. 103. 1999. P. 11355-11365
FROM MOLECULES TO PARTICLES: QUANTUM-CHEMICAL VIEW APPLIED TO FUMED SILICA Article Sheka E., Khavryutchenko V., Nikitina E. Journal of Nanoparticle Research. Vol. 1. 1999. P. 71-81
FUMED SILICA PARTICLES POLYDIMETHYLSILOXANE OLIGOMERS INTERFACE. 2. QUANTUM CHEMICAL MODELLING OF PARTICLE SURFACE. TETRAGONAL PACKING Article Khavryutchenko V.D., Nikitina E.A., Sheka E.F., Barthel W.H., Weis J. Physics of Low-Dimensional Structures. Vol. 1999. 1999. P. 1-24
FUMED SILICA PARTICLES/POLYDIMETHYLSILOXANE OLIGOMERS INTERFACE. I. QUANTUM-CHEMICAL MODELLING OF PARTICLE SURFACE. CUBIC PACKING Article Khavryutchenko V.D., Nikitina E.A., Sheka E.F., Barthel H., Weis J. Physics of Low-Dimensional Structures. Vol. 1998. 1998. P. 1-30
SUPERCLUSTER QUANTUM-CHEMICAL APPROACH TO THE SI(111)7X7 SURFACE. 2. CHARGE AND SPIN DISTRIBUTION Article Khavryutchenko V., Sheka E., Huang D.H., Aono M. Physics of Low-Dimensional Structures. Vol. 1998. 1998. P. 81-106
QUANTUM TECHNOLOGY APPLIED TO ALPHA-C:H FILM MODELING ASPECTS Article Sheka E.F., Khavryutchenko V.D., Nikitina E.A. Journal of Wide Bandgap Materials. Vol. 5. 1997. P. 298-309
ADSORPTION MODELING OF POLYDIMETHYLSILOXANE ON SILICA: SEMIEMPIRICAL QUANTUM-CHEMICAL CALCULATIONS Article Nikitina E.A., Khavryutchenko V.D., Sheka E.F., Barthel W.H., Weis J. Surface Review and Letters. World Scientific Publishing Co. Pte Ltd. Vol. 4. 1997. P. 879-883
COMPUTER MODELING OF ASSEMBLY OF ATOMS IN AN ELECTRIC FIELD Article Sheka E.F., Khavryutchenko V.D., Zayetz V.A. International Journal of Quantum Chemistry. John Wiley and Sons Inc.. Vol. 57. 1996. P. 741-755
TECHNOLOGICAL POLYMORPHISM OF DISPERSED AMORPHOUS SILICAS: NEUTROR INELASTIC SCATTERING ON VIBRATIONS AND COMPUTER MODELING Article Sheka E.F., Markichev I.V., Natkaniec I., Khavryuchenko V.D. Physics of Particles and Nuclei. Vol. 27. 1996. P. 204-233
COMPUTATIONAL CHEMISTRY OF THE SILICON NITRIDE SURFACE. 2. BINARY HYDROXYLAMINE COMPLEXES. GEOMETRY AND BOND ENERGIES Article Goncharova N.V., Nikitina E.A., Khavryuchenko V.D., Sheka E.F. Journal of Structural Chemistry. Vol. 37. 1996. P. 24-40
NANOMATERIALS: REALITY AND COMPUTATIONAL MODELLING Article Sheka E.F., Khavryutchenko V.D. Nanostructured Materials. Elsevier Ltd. Vol. 6. 1995. P. 803-806
COMPUTATIONAL CHEMISTRY OF THE SILICON-NITRIDE SURFACE .1. WATER, AMMONIA, AND WATER-AMMONIA COMPLEX Article GONCHAROVA N.V., NIKITINA E.A., KHAVRYUCHENKO V.D., SHEKA E.F. Journal of Structural Chemistry. Vol. 36. 1995. P. 50-59
COMPUTATIONAL INVESTIGATION OF THE INFLUENCE OF THE ENVIRONMENT ON MECHANICAL-PROPERTIES OF SOLIDS Article NIKITINA E.A., GOLUBINA T.A., MALKIN A.I., YUSHCHENKO V.S., KHAVRYUTHCENKO V.D., SHEKA E.F. International Journal of Quantum Chemistry. John Wiley and Sons Inc.. 1995. P. 161-173
TECHONOLOGICAL POLYMORPHISM OF DISPERSE AMORPHOUS SILICAS: INELASTIC NEUTRON SCATTERING AND COMPUTER MODELLING Article Sheka E.F., Khavryuchenko V.D., Markichev I.V. Russian Chemical Reviews. Vol. 64. 1995. P. 389-414
FORMATION OF NANOSTRUCTURES ON AN ALPHA-C:H FILM IN THE PRESENCE OF AN ADSORBATE Article Luskinovich P.N., Frolov V.D., Shavykin A.E., Khavryuchenko V.D., Sheka E.F., Nikitina E.A. JETP Letters. Vol. 62. 1995. P. 881-886
TECHNOLOGICAL POLYMORPHISM OF DISPERSE AMORPHOUS SILICAS - INELASTIC NEUTRON-SCATTERING AND COMPUTATIONAL MODELING Article SHEKA E.F., KHAVRYUCHENKO V.D., MARKICHEV I.V. Uspekhi Khimii. Vol. 64. 1995. P. 419-445
COMPUTATIONAL INVESTIGATION OF THE INFLUENCE OF THE ENVIRONMENT ON MECHANICAL PROPERTIES OF SOLIDS Article Nikitina E.A., Golubina T.A., Malkin A.I., Yushchenko V.S., Khavryuthcenko V.D., Sheka E.F. International Journal of Quantum Chemistry. John Wiley and Sons Inc.. Vol. 56. 1995. P. 161-173
COMPUTATIONAL MODELING OF AMORPHOUS SILICA .3. MODELING THE INITIAL STRUCTURES - SILICA-GEL Article KHAVRYUCHENKO V.D., SHEKA E.F. Journal of Structural Chemistry. Vol. 35. 1994. P. 299-304
COMPUTATIONAL MODELING OF AMORPHOUS SILICA .4. MODELING THE INITIAL STRUCTURES - AEROGEL Article KHAVRYUCHENKO V.D., SHEKA E.F. Journal of Structural Chemistry. Vol. 35. 1994. P. 305-308
DENSITY OF VIBRATIONAL STATES OF THIOL CAPPED CDS PARTICLES. INELASTIC NEUTRON SCATTERING Article Markichev I., Sheka E., Natkaniec I., Muzychka A., Khavryutchenko V., Wang Y., Herron N. Physica B: Condensed Matter. Elsevier Science Publishers B.V., Amsterdam. Vol. 198. 1994. P. 197-199
DENSITY OF VIBRATIONAL STATES OF SILICON NITRIDE Article Markichev I., Sheka E., Goncharova N., Natkaniec I., Muzychka A., Chukalin V., Khavryutchenko V., Nikitina E. Physica B: Condensed Matter. Elsevier Science Publishers B.V., Amsterdam. Vol. 198. 1994. P. 200-202
COMPUTATIONAL MODELING OF AMORPHOUS SILICA .2. MODELING THE INITIAL STRUCTURES - AEROSIL Article KHAVRYUCHENKO V.D., SHEKA E.F. Journal of Structural Chemistry. Vol. 35. 1994. P. 291-298
SURFACE VIBRATIONS OF SILICON NITRIDE: INELASTIC NEUTRON SCATTERING STUDY AND COMPUTER MODELING Article Sheka E., Khavryutchenko V., Nikitina E., Natkaniec I., Markichev I., Goncharova N., Chukalin V. Journal of Electron Spectroscopy and Related Phenomena. Vol. 67. 1994. P. 133-139
COMPUTER MODELING OF AMORPHOUS SILICA STRUCTURES Article Khavryutchenko V., Sheka E. Reaction Kinetics & Catalysis Letters. Kluwer Academic Publishers. Vol. 50. 1993. P. 389-414
NEW METHOD OF SURFACE ANALYSIS USING SPIN-POLARIZED ELECTRONS Article Tishchenko A.A., Sheka E.F. Physics, chemistry and mechanics of surfaces. Publ by Gordon & Breach Science Publ Inc, Newark, NJ, United States. Vol. 8. 1993. P. 810-845