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
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
FROM SILICON FULLERENES SI-60 TO NANOFIBERS Статья Sheka E.F., Nikitina E.A. Doklady Chemistry. Том 378. 2001. С. 129-134
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 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. 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 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. 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
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
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
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
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
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 .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
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
NANOMATERIALS: REALITY AND COMPUTATIONAL MODELLING Статья Sheka E.F., Khavryutchenko V.D. Nanostructured Materials. Elsevier Ltd. Том 6. 1995. С. 803-806
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
FORMATION OF NANOSTRUCTURES ON AN ALPHA-C:H FILM IN THE PRESENCE OF AN ADSORBATE Статья Luskinovich P.N., Frolov V.D., Shavykin A.E., Khavryuchenko V.D., Sheka E.F., Nikitina E.A. JETP Letters. Том 62. 1995. С. 881-886
TECHONOLOGICAL POLYMORPHISM OF DISPERSE AMORPHOUS SILICAS: INELASTIC NEUTRON SCATTERING AND COMPUTER MODELLING Статья Sheka E.F., Khavryuchenko V.D., Markichev I.V. Russian Chemical Reviews. Том 64. 1995. С. 389-414
COMPUTATIONAL MODELING OF AMORPHOUS SILICA .4. MODELING THE INITIAL STRUCTURES - AEROGEL Статья KHAVRYUCHENKO V.D., SHEKA E.F. Journal of Structural Chemistry. Том 35. 1994. С. 305-308
SURFACE VIBRATIONS OF SILICON NITRIDE: INELASTIC NEUTRON SCATTERING STUDY AND COMPUTER MODELING Статья Sheka E., Khavryutchenko V., Nikitina E., Natkaniec I., Markichev I., Goncharova N., Chukalin V. Journal of Electron Spectroscopy and Related Phenomena. Том 67. 1994. С. 133-139
COMPUTATIONAL MODELING OF AMORPHOUS SILICA .2. MODELING THE INITIAL STRUCTURES - AEROSIL Статья KHAVRYUCHENKO V.D., SHEKA E.F. Journal of Structural Chemistry. Том 35. 1994. С. 291-298
DENSITY OF VIBRATIONAL STATES OF THIOL CAPPED CDS PARTICLES. INELASTIC NEUTRON SCATTERING Статья Markichev I., Sheka E., Natkaniec I., Muzychka A., Khavryutchenko V., Wang Y., Herron N. Physica B: Condensed Matter. Elsevier Science Publishers B.V., Amsterdam. Том 198. 1994. С. 197-199
DENSITY OF VIBRATIONAL STATES OF SILICON NITRIDE Статья 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. Том 198. 1994. С. 200-202
COMPUTATIONAL MODELING OF AMORPHOUS SILICA .3. MODELING THE INITIAL STRUCTURES - SILICA-GEL Статья KHAVRYUCHENKO V.D., SHEKA E.F. Journal of Structural Chemistry. Том 35. 1994. С. 299-304
NEW METHOD OF SURFACE ANALYSIS USING SPIN-POLARIZED ELECTRONS Статья Tishchenko A.A., Sheka E.F. Physics, chemistry and mechanics of surfaces. Publ by Gordon & Breach Science Publ Inc, Newark, NJ, United States. Том 8. 1993. С. 810-845
COMPUTER MODELING OF AMORPHOUS SILICA STRUCTURES Статья Khavryutchenko V., Sheka E. Reaction Kinetics & Catalysis Letters. Kluwer Academic Publishers. Том 50. 1993. С. 389-414
VIBRATIONS OF DISPERSE SILICAS - A COMPARATIVE-STUDY Статья 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. Том 112. 1993. С. 303-305
COMPARATIVE-ANALYSIS OF VIBRATION-SPECTRA OF DISPERSIVE SILICAS AND THEIR COMPONENTS Статья SHEKA E.F., MARKICHEV I.V., KHAVRYUCHENKO V.D., NATKANETS I. Journal of Structural Chemistry. Том 34. 1993. С. 523-533
CONSTRUCTION OF VIBRATIONAL BASIS SPECTRA OF MULTICOMPONENT SYSTEMS .2. SILICA-GEL Статья MARKICHEV I.V., NATKANETS I., SHEKA E.F. Journal of Structural Chemistry. Том 34. 1993. С. 56-67
OSCILLATING SPECTROSCOPY OF DISPERSE SILICA - NONELASTIC SCATTERING OF NEUTRONS Статья SHEKA E.F., NATKANETS I., KHAVRYUCHENKO V.D., NECHITAILOV P.B., MARKICHEV I.V., MUZYCHKA A.Y. ЖУРНАЛ ФИЗИЧЕСКОЙ ХИМИИ. MEZHDUNARODNAYA KNIGA / Федеральное государственное бюджетное учреждение "Российская академия наук". Том 67. 1993. С. 38-47
VIBRATIONS OF DISPERSED SILICAS: A COMPARATIVE Статья Sheka E.F., Natkaniec I., Markichev I., Chuyko A., Khavryutchenko V., Ogenko V. Reaction Kinetics & Catalysis Letters. Kluwer Academic Publishers. Том 50. 1993. С. 221-226
CONSTRUCTION OF BASIS VIBRATION-SPECTRA OF MULTICOMPONENT SYSTEMS .3. AEROGEL Статья MARKICHEV I.V., MUZYCHKA A.Y., NATKANETS I., SHEKA E.F. Journal of Structural Chemistry. Том 34. 1993. С. 513-522
CONSTRUCTION OF VIBRATIONAL BASIS SPECTRA OF MULTICOMPONENT SYSTEMS .1. AEROSIL Статья MARKICHEV I.V., NATKANETS I., SHEKA E.F. Journal of Structural Chemistry. Том 34. 1993. С. 46-55
METHOD FOR THE CONSTRUCTION OF BASIS SPECTRA OF MULTICOMPONENT SYSTEMS - THE ZERO CORRELATION-COEFFICIENT CRITERION Статья MARKICHEV I.V., NATKANETS I., SHEKA E.F. Journal of Structural Chemistry. Том 34. 1993. С. 37-45
WATER ON AMORPHOUS SILICAS: INS STUDY Статья 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. Том 180-181. 1992. С. 522-524
COMPUTATIONAL INS SPECTROSCOPY OF DISPERSED CATALYSTS Статья Sheka E.F. Physica B: Condensed Matter. Elsevier Science Publishers B.V., Amsterdam. Том 174. 1991. С. 227-232
NEUTRON SPECTROSCOPY OF WATER ADSORBED ON SILICA Статья Sheka E., Khavryutchenko V., Natkaniec I., Ogenko V., Markichev I., Muzychka A., Nechitailov P. Physica B: Condensed Matter. Elsevier Science Publishers B.V., Amsterdam. Том 174. 1991. С. 182-186
NEUTRON SCATTERING FROM WATER ADSORBED ON ULTRAFINE NICKEL PARTICLES Статья Sheka E., Nikitina E., Khavryutchenko V., Zayetz V., Natkaniec I., Nechitailov P., Muzychka A. Physica B: Condensed Matter. Elsevier Science Publishers B.V., Amsterdam. Том 174. 1991. С. 187-191
SPECTROSCOPY OF AMORPHOUS SOLIDS WITH MOLECULAR-STRUCTURES Статья SHEKA E.F. Uspekhi Fizicheskikh Nauk. Том 160. 1990. С. 263-298
AMPLITUDE WEIGHTED DENSITY OF BULK AND SURFACE VIBRATIONS; ULTRAFINE NICKEL PARTICLES Статья Preuß E., Wuttig M., Sheka E., Natkaniec I., Nechitaylov P. Journal of Electron Spectroscopy and Related Phenomena. Том 54-55. 1990. С. 425-443
VIBERATIONAL SPECTROSCOPY OF DISPERSED SILICA: INELASTIC NEUTRON SCATTERING Статья Sheka E.F., Natkaniec I., Khavryutchenko V.D., Nechitaylov P.B., Musychka A.Yu., Ogenko V.M., Markichev I.V., Brankowski J., Krawczyk J. Journal of Electron Spectroscopy and Related Phenomena. Том 54-55. 1990. С. 855-876