NANOPACK: PARALLEL CODES FOR SEMIEMPIRICAL QUANTUM CHEMICAL CALCULATIONS OF LARGE SYSTEMS IN THE SP- AND SPD-BASIS Article 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.. Vol. 88. 2002. P. 449-462
HIGH-SPIN SILICON FULLERENE SI60 AND ITS OLIGOMERS Article Sheka E.F., Nikitina E.A., Zayets V.A., Ginzburg I.Ya. International Journal of Quantum Chemistry. John Wiley and Sons Inc.. Vol. 88. 2002. P. 441-448
FULLERENE MODEL OF SILICON NANOFIBERS Article Sheka E.F., Nikitina E.A., Zaets V.A., Ginzburg I.Ya. JETP Letters. Vol. 74. 2001. P. 177-181
COMPARATIVE STUDY OF THE SI(100) SURFACE RECONSTRUCTION UNDER SUCCESSIVE DEHYDROGENATION. I. SI(100)(1X1)-H SURFACE Article Nikitina E.A., Sheka E.F., Aono M. Physics of Low-Dimensional Structures. Vol. 2001. 2001. P. 31-56
FROM SILICON FULLERENES SI-60 TO NANOFIBERS Article Sheka E.F., Nikitina E.A. Doklady Chemistry. Vol. 378. 2001. P. 129-134
INS AND IR STUDIES OF INTERMOLECULAR INTERACTION AT THE SILICONE-FUMED SILICA INTERFACE. 2. FUMED SILICA Article Sheka E., Barthel H., Khavryutchenko V., Natkaniec I., Nikitina E., Weis J. Physics of Low-Dimensional Structures. Vol. 2000. 2000. P. 1-24
INS STUDY OF INTERMOLECULAR INTERACTION AT THE SILICONE-FUMED SILICA INTERFACE Article Sheka E., Natkaniec I., Khavryutchenko V., Nikitina E., Barthel H., Weis J. Physica B: Condensed Matter. Elsevier Science Publishers B.V., Amsterdam. Vol. 276-278. 2000. P. 244-246
INS AND IR STUDIES OF INTERMOLECULAR INTERACTION AT THE SILICONE-FUMED SILICA INTERFACE. 3. ADSORPTION COMPLEXES Article Sheka E., Barthel H., Khavryutchenko V., Natkaniec I., Nikitina E., Weis J. Physics of Low-Dimensional Structures. Vol. 2000. 2000. P. 25-50
INS AND IR STUDIES OF INTERMOLECULAR INTERACTION AT THE SILICONE-FUMED SILICA INTERFACE I. SILICONES Article Sheka E., Barthel H., Khavryutchenko V., Natkaniec I., Nikitina E., Weis J. Physics of Low-Dimensional Structures. Vol. 2000. 2000. P. 127-158
SURFACE MAGNETISM OF SILICON [111](7×7) AND [001](2×1) SURFACES: QUANTUM-CHEMICAL APPROACH Article 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.
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
INTERMOLECULAR INTERACTIONS OF POLYDIMETHYLSILOXANE OLIGOMERS WITH HYDROXYLATED AND SILYLATED FUMED SILICA Article Nikitina E., Khavryutchenko V., Sheka E., Barthel H., Weis J. Composite Interfaces. Vol. 6. 1999. P. 3-17
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
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
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
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
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
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
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.. 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
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
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
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
NANOMATERIALS: REALITY AND COMPUTATIONAL MODELLING Article Sheka E.F., Khavryutchenko V.D. Nanostructured Materials. Elsevier Ltd. Vol. 6. 1995. P. 803-806
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
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 .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
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
CONSTRUCTION OF VIBRATIONAL BASIS SPECTRA OF MULTICOMPONENT SYSTEMS .2. SILICA-GEL Article MARKICHEV I.V., NATKANETS I., SHEKA E.F. Journal of Structural Chemistry. Vol. 34. 1993. P. 56-67
METHOD FOR THE CONSTRUCTION OF BASIS SPECTRA OF MULTICOMPONENT SYSTEMS - THE ZERO CORRELATION-COEFFICIENT CRITERION Article MARKICHEV I.V., NATKANETS I., SHEKA E.F. Journal of Structural Chemistry. Vol. 34. 1993. P. 37-45
COMPUTER MODELING OF AMORPHOUS SILICA STRUCTURES Article Khavryutchenko V., Sheka E. Reaction Kinetics & Catalysis Letters. Kluwer Academic Publishers. Vol. 50. 1993. P. 389-414
VIBRATIONS OF DISPERSED SILICAS: A COMPARATIVE Article Sheka E.F., Natkaniec I., Markichev I., Chuyko A., Khavryutchenko V., Ogenko V. Reaction Kinetics & Catalysis Letters. Kluwer Academic Publishers. Vol. 50. 1993. P. 221-226
VIBRATIONS OF DISPERSE SILICAS - A COMPARATIVE-STUDY Article SHEKA E.F., NATKANIEC I., MARKICHEV I.V., KHAVRYUTCHENKO V.D. PHONON SCATTERING IN CONDENSED MATTER VII: PROCEEDINGS OF THE SEVENTH INTERNATIONAL CONFERENCE. SPRINGER-VERLAG BERLIN. Vol. 112. 1993. P. 303-305
COMPARATIVE-ANALYSIS OF VIBRATION-SPECTRA OF DISPERSIVE SILICAS AND THEIR COMPONENTS Article SHEKA E.F., MARKICHEV I.V., KHAVRYUCHENKO V.D., NATKANETS I. Journal of Structural Chemistry. Vol. 34. 1993. P. 523-533
CONSTRUCTION OF VIBRATIONAL BASIS SPECTRA OF MULTICOMPONENT SYSTEMS .1. AEROSIL Article MARKICHEV I.V., NATKANETS I., SHEKA E.F. Journal of Structural Chemistry. Vol. 34. 1993. P. 46-55
CONSTRUCTION OF BASIS VIBRATION-SPECTRA OF MULTICOMPONENT SYSTEMS .3. AEROGEL Article MARKICHEV I.V., MUZYCHKA A.Y., NATKANETS I., SHEKA E.F. Journal of Structural Chemistry. Vol. 34. 1993. P. 513-522
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
OSCILLATING SPECTROSCOPY OF DISPERSE SILICA - NONELASTIC SCATTERING OF NEUTRONS Article SHEKA E.F., NATKANETS I., KHAVRYUCHENKO V.D., NECHITAILOV P.B., MARKICHEV I.V., MUZYCHKA A.Y. ZHURNAL FIZICHESKOI KHIMII / Russian Journal of Physical Chemistry A. MEZHDUNARODNAYA KNIGA / Федеральное государственное бюджетное учреждение "Российская академия наук". Vol. 67. 1993. P. 38-47
WATER ON AMORPHOUS SILICAS: INS STUDY Article Natkaniec I., Fricke J., Khavryutchenko V., Markichev I., Muzychka A., Ogenko V., Reichenauer G., Sheka E. Physica B: Condensed Matter. Elsevier Science Publishers B.V., Amsterdam. Vol. 180-181. 1992. P. 522-524
NEUTRON SCATTERING FROM WATER ADSORBED ON ULTRAFINE NICKEL PARTICLES Article Sheka E., Nikitina E., Khavryutchenko V., Zayetz V., Natkaniec I., Nechitailov P., Muzychka A. Physica B: Condensed Matter. Elsevier Science Publishers B.V., Amsterdam. Vol. 174. 1991. P. 187-191
COMPUTATIONAL INS SPECTROSCOPY OF DISPERSED CATALYSTS Article Sheka E.F. Physica B: Condensed Matter. Elsevier Science Publishers B.V., Amsterdam. Vol. 174. 1991. P. 227-232
NEUTRON SPECTROSCOPY OF WATER ADSORBED ON SILICA Article Sheka E., Khavryutchenko V., Natkaniec I., Ogenko V., Markichev I., Muzychka A., Nechitailov P. Physica B: Condensed Matter. Elsevier Science Publishers B.V., Amsterdam. Vol. 174. 1991. P. 182-186
AMPLITUDE WEIGHTED DENSITY OF BULK AND SURFACE VIBRATIONS; ULTRAFINE NICKEL PARTICLES Article Preuß E., Wuttig M., Sheka E., Natkaniec I., Nechitaylov P. Journal of Electron Spectroscopy and Related Phenomena. Vol. 54-55. 1990. P. 425-443
SPECTROSCOPY OF AMORPHOUS SUBSTANCES WITH MOLECULAR STRUCTURE Article Sheka E.F. Soviet Physics - Uspekhi. Vol. 33. 1990. P. 147-166