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
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
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
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
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
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
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