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  1. 2005

  2. Local characteristics of the electronic structure of MgO: LCAO and plane-wave calculations

    Evarestov, R. A., Smirnov, V. P., Tupitsyn, I. I. & Usvyat, D. E., 5 Aug 2005, In: International Journal of Quantum Chemistry. 104, 2 SPEC. ISS., p. 110-113 4 p.

    Research output: Contribution to journal › Article › peer-review

  3. Wannier functions and chemical bonding in a slab model: MgO (001) and TiO2 (110) surfaces

    Evarestov, R. A., Smirnov, V. P. & Usvyat, D. E., 5 Aug 2005, In: International Journal of Quantum Chemistry. 104, 2 SPEC. ISS., p. 102-109 8 p.

    Research output: Contribution to journal › Article › peer-review

  4. A new amide proton R1ρ experiment permits accurate characterization of microsecond time-scale conformational exchange

    Eichmüller, C. & Skrynnikov, N. R., Aug 2005, In: Journal of Biomolecular NMR. 32, 4, p. 281-293 13 p.

    Research output: Contribution to journal › Article › peer-review

  5. DFT plane wave calculations of the atomic and electronic structure of LaMnO3 (001) surface

    Kotomin, E. A., Evarestov, R. A., Mastrikov, A. Y. & Maier, J., 7 Jun 2005, In: Physical Chemistry Chemical Physics. 7, 11, p. 2346-2350 5 p.

    Research output: Contribution to journal › Article › peer-review

  6. Synthesis and polar and electrooptical properties of a butylamine derivative of fullerene C60

    Evlampieva, N. P., Yakimanskii, A. V., Dobrodumov, A. V., Nazarova, O. V., Pashkov, Y. B., Panarin, E. F. & Ryumtsev, E. I., May 2005, In: Russian Journal of General Chemistry. 75, 5, p. 751-758 8 p.

    Research output: Contribution to journal › Article › peer-review

  7. A new spin probe of protein dynamics: Nitrogen relaxation in 15N-2H amide groups

    Xu, J., Millet, O., Kay, L. E. & Skrynnikov, N. R., 9 Mar 2005, In: Journal of the American Chemical Society. 127, 9, p. 3220-3229 10 p.

    Research output: Contribution to journal › Article › peer-review

  8. DFT LCAO and plane wave calculations of SrZrO3

    Evarestov, R. A., Bandura, A. V., Alexandrov, V. E. & Kotomin, E. A., 1 Feb 2005, In: Physica Status Solidi (B) Basic Research. 242, 2

    Research output: Contribution to journal › Article › peer-review

  9. Electrooptical and molecular properties of fullerene-containing poly(methyl methacrylates) prepared by introducing fullerenes C60 and C 70 into the polymer structure by different methods

    Evlampieva, N. P., Lopatin, M. A., Yakimanskii, A. V., Nazarova, O. V., Melenevskaya, E. Y., Dmitrieva, T. A., Belyaev, N. V., Litvinova, L. S. & Lavrenko, P. N., 1 Jan 2005, In: Russian Journal of Applied Chemistry. 78, 1, p. 137-143 7 p.

    Research output: Contribution to journal › Article › peer-review

  10. Trends in calculation of point and extended defects in wide-gap solids: Periodic models of aperiodic systems

    Evarestov, R. A., Jan 2005, In: Physica Status Solidi (A) Applications and Materials Science. 202, 2, p. 235-242 8 p.

    Research output: Contribution to journal › Article › peer-review

  11. 2004

  12. Modification of the Monkhorst-Pack special points meshes in the Brillouin zone for density functional theory and Hartree-Fock calculations

    Evarestov, R. A. & Smirnov, V. P., Dec 2004, In: Physical Review B - Condensed Matter and Materials Physics. 70, 23, p. 1-4 4 p., 233101.

    Research output: Contribution to journal › Article › peer-review

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