Sheka E.F. - list of publications

Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics). Vol. 2658. 2003. P. 386-403

TUNCUR: SEQUENTIAL CODES FOR SEMIEMPIRICAL QUANTUM-CHEMICAL CALCULATIONS OF TUNNELING CURRENT

Article

Zayets V.A., Sheka E.F.

Physics of Low-Dimensional Structures. Vol. 11-12. 2003. P. 35-56

VIOLATION OF COVALENT BONDING IN FULLERENES

Article

Sheka E.F.

Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics). Vol. 2658. 2003. P. 386-403

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

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

FROM SILICON FULLERENES SI-60 TO NANOFIBERS

Article

Sheka E.F., Nikitina E.A.

Doklady Chemistry. Vol. 378. 2001. P. 129-134

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

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

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. 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 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

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

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

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.

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

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

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

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

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

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

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

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

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

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 .2. MODELING THE INITIAL STRUCTURES - AEROSIL

Article

KHAVRYUCHENKO V.D., SHEKA E.F.

Journal of Structural Chemistry. Vol. 35. 1994. P. 291-298

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

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 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

Шека Е.Ф.

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