NANOPACK: PARALLEL CODES FOR SEMIEMPIRICAL QUANTUM CHEMICAL CALCULATIONS OF LARGE SYSTEMS IN THE SP- AND SPD-BASIS Статья Berzigiyarov P.K., Zayets V.A., Ginzburg I.Ya., Razumov V.F., Sheka E.F. International Journal of Quantum Chemistry. John Wiley and Sons Inc.. Том 88. 2002. С. 449-462
FROM SILICON FULLERENES SI-60 TO NANOFIBERS Статья Sheka E.F., Nikitina E.A. Doklady Chemistry. Том 378. 2001. С. 129-134
FULLERENE MODEL OF SILICON NANOFIBERS Статья Sheka E.F., Nikitina E.A., Zaets V.A., Ginzburg I.Ya. JETP Letters. Том 74. 2001. С. 177-181
COMPARATIVE STUDY OF THE SI(100) SURFACE RECONSTRUCTION UNDER SUCCESSIVE DEHYDROGENATION. I. SI(100)(1X1)-H SURFACE Статья Nikitina E.A., Sheka E.F., Aono M. Physics of Low-Dimensional Structures. Том 2001. 2001. С. 31-56
INS AND IR STUDIES OF INTERMOLECULAR INTERACTION AT THE SILICONE-FUMED SILICA INTERFACE I. SILICONES Статья Sheka E., Barthel H., Khavryutchenko V., Natkaniec I., Nikitina E., Weis J. Physics of Low-Dimensional Structures. Том 2000. 2000. С. 127-158
INS AND IR STUDIES OF INTERMOLECULAR INTERACTION AT THE SILICONE-FUMED SILICA INTERFACE. 2. FUMED SILICA Статья Sheka E., Barthel H., Khavryutchenko V., Natkaniec I., Nikitina E., Weis J. Physics of Low-Dimensional Structures. Том 2000. 2000. С. 1-24
INS STUDY OF INTERMOLECULAR INTERACTION AT THE SILICONE-FUMED SILICA INTERFACE Статья Sheka E., Natkaniec I., Khavryutchenko V., Nikitina E., Barthel H., Weis J. Physica B: Condensed Matter. Elsevier Science Publishers B.V., Amsterdam. Том 276-278. 2000. С. 244-246
INS AND IR STUDIES OF INTERMOLECULAR INTERACTION AT THE SILICONE-FUMED SILICA INTERFACE. 3. ADSORPTION COMPLEXES Статья Sheka E., Barthel H., Khavryutchenko V., Natkaniec I., Nikitina E., Weis J. Physics of Low-Dimensional Structures. Том 2000. 2000. С. 25-50
SURFACE MAGNETISM OF SILICON [111](7×7) AND [001](2×1) SURFACES: QUANTUM-CHEMICAL APPROACH Статья Sheka E.F., Nikitina E.A., Aono M. 1999 9th International Crimean Microwave Conference: Microwave and Telecommunication Technology, CriMiCo 1999 - Conference Proceedings. Institute of Electrical and Electronics Engineers Inc.. 1999.
INTERMOLECULAR INTERACTIONS OF POLYDIMETHYLSILOXANE OLIGOMERS WITH HYDROXYLATED AND SILYLATED FUMED SILICA Статья Nikitina E., Khavryutchenko V., Sheka E., Barthel H., Weis J. Composite Interfaces. Том 6. 1999. С. 3-17
DEFORMATION OF POLY(DIMETHYLSILOXANE) OLIGOMERS UNDER UNIAXIAL TENSION: QUANTUM CHEMICAL VIEW Статья Nikitina E.A., Khavryutchenko V.D., Sheka E.F., Barthel H., Weis J. Journal of Physical Chemistry A. American Chemical Society. Том 103. 1999. С. 11355-11365
FROM MOLECULES TO PARTICLES: QUANTUM-CHEMICAL VIEW APPLIED TO FUMED SILICA Статья Sheka E., Khavryutchenko V., Nikitina E. Journal of Nanoparticle Research. Том 1. 1999. С. 71-81
FUMED SILICA PARTICLES POLYDIMETHYLSILOXANE OLIGOMERS INTERFACE. 2. QUANTUM CHEMICAL MODELLING OF PARTICLE SURFACE. TETRAGONAL PACKING Статья Khavryutchenko V.D., Nikitina E.A., Sheka E.F., Barthel W.H., Weis J. Physics of Low-Dimensional Structures. Том 1999. 1999. С. 1-24
FUMED SILICA PARTICLES/POLYDIMETHYLSILOXANE OLIGOMERS INTERFACE. I. QUANTUM-CHEMICAL MODELLING OF PARTICLE SURFACE. CUBIC PACKING Статья Khavryutchenko V.D., Nikitina E.A., Sheka E.F., Barthel H., Weis J. Physics of Low-Dimensional Structures. Том 1998. 1998. С. 1-30
SUPERCLUSTER QUANTUM-CHEMICAL APPROACH TO THE SI(111)7X7 SURFACE. 2. CHARGE AND SPIN DISTRIBUTION Статья Khavryutchenko V., Sheka E., Huang D.H., Aono M. Physics of Low-Dimensional Structures. Том 1998. 1998. С. 81-106
ADSORPTION MODELING OF POLYDIMETHYLSILOXANE ON SILICA: SEMIEMPIRICAL QUANTUM-CHEMICAL CALCULATIONS Статья Nikitina E.A., Khavryutchenko V.D., Sheka E.F., Barthel W.H., Weis J. Surface Review and Letters. World Scientific Publishing Co. Pte Ltd. Том 4. 1997. С. 879-883
QUANTUM TECHNOLOGY APPLIED TO ALPHA-C:H FILM MODELING ASPECTS Статья Sheka E.F., Khavryutchenko V.D., Nikitina E.A. Journal of Wide Bandgap Materials. Том 5. 1997. С. 298-309
COMPUTER MODELING OF ASSEMBLY OF ATOMS IN AN ELECTRIC FIELD Статья Sheka E.F., Khavryutchenko V.D., Zayetz V.A. International Journal of Quantum Chemistry. John Wiley and Sons Inc.. Том 57. 1996. С. 741-755
TECHNOLOGICAL POLYMORPHISM OF DISPERSED AMORPHOUS SILICAS: NEUTROR INELASTIC SCATTERING ON VIBRATIONS AND COMPUTER MODELING Статья Sheka E.F., Markichev I.V., Natkaniec I., Khavryuchenko V.D. Physics of Particles and Nuclei. Том 27. 1996. С. 204-233
COMPUTATIONAL CHEMISTRY OF THE SILICON NITRIDE SURFACE. 2. BINARY HYDROXYLAMINE COMPLEXES. GEOMETRY AND BOND ENERGIES Статья Goncharova N.V., Nikitina E.A., Khavryuchenko V.D., Sheka E.F. Journal of Structural Chemistry. Том 37. 1996. С. 24-40
COMPUTATIONAL CHEMISTRY OF THE SILICON-NITRIDE SURFACE .1. WATER, AMMONIA, AND WATER-AMMONIA COMPLEX Статья GONCHAROVA N.V., NIKITINA E.A., KHAVRYUCHENKO V.D., SHEKA E.F. Journal of Structural Chemistry. Том 36. 1995. С. 50-59
COMPUTATIONAL INVESTIGATION OF THE INFLUENCE OF THE ENVIRONMENT ON MECHANICAL PROPERTIES OF SOLIDS Статья 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.. Том 56. 1995. С. 161-173
NANOMATERIALS: REALITY AND COMPUTATIONAL MODELLING Статья Sheka E.F., Khavryutchenko V.D. Nanostructured Materials. Elsevier Ltd. Том 6. 1995. С. 803-806
COMPUTATIONAL INVESTIGATION OF THE INFLUENCE OF THE ENVIRONMENT ON MECHANICAL-PROPERTIES OF SOLIDS Статья 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. С. 161-173
TECHNOLOGICAL POLYMORPHISM OF DISPERSE AMORPHOUS SILICAS - INELASTIC NEUTRON-SCATTERING AND COMPUTATIONAL MODELING Статья SHEKA E.F., KHAVRYUCHENKO V.D., MARKICHEV I.V. Uspekhi Khimii. Том 64. 1995. С. 419-445