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  1. 2006

  2. Towards relativistic ECP/DFT description of chemical bonding in E112 compounds: Spin-orbit and correlation effects in E112X versus HgX (X=H, Au)

    Zaitsevskii, A., Rykova, E., Mosyagin, N. S. & Titov, A. V., Dec 2006, In: Central European Journal of Physics. 4, 4, p. 448-460 13 p.

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

  3. Is E112 a relatively inert element? Benchmark relativistic correlation study of spectroscopic constants in E112H and its cation

    Mosyagin, N. S., Isaev, T. A. & Titov, A. V., 14 Jun 2006, In: Journal of Chemical Physics. 124, 22, 224302.

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

  4. Generalized RECP accounting for Breit effects: Uranium, plutonium and superheavy elements 112, 113, 114

    Mosyagin, N. S., Petrov, A. N., Titov, A. V. & Tupitsyn, I. I., 2006, RECENT ADVANCES IN THE THEORY OF CHEMICAL AND PHYSICAL SYSTEMS. Julien, JP., Maruani, J., Mayou, D., Wilson, S. & DelgadoBarrio, G. (eds.). Springer Nature, p. 229-251 23 p. (Progress in Theoretical Chemistry and Physics; vol. 15).

    Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › Research › peer-review

  5. GENERALIZED RECPACCOUNTING FOR BREIT EFFECTS: URANIUM, PLUTONIUM AND SUPERHEAVY ELEMENTS 112, 113, 114

    Mosyagin, N. S., Petrov, A. N., Titov, A. V. & Tupitsyn, I. I., 2006, Progress in Theoretical Chemistry and Physics. Springer Nature, p. 229-251 23 p. (Progress in Theoretical Chemistry and Physics; vol. 15).

    Research output: Chapter in Book/Report/Conference proceeding › Chapter › Research › peer-review

  6. P,T-parity violation effects in polar heavy-atom molecules

    Titov, A. V., Mosyagin, N. S., Petrov, A. N., Isaev, T. A. & DeMille, D. P., 2006, RECENT ADVANCES IN THE THEORY OF CHEMICAL AND PHYSICAL SYSTEMS. Julien, JP., Maruani, J., Mayou, D., Wilson, S. & DelgadoBarrio, G. (eds.). Springer Nature, p. 253-283 31 p. (Progress in Theoretical Chemistry and Physics; vol. 15).

    Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › Research › peer-review

  7. Relativistic effective core potential calculations of Hg and eka-Hg (E112) interactions with gold: Spin-orbit density functional theory modeling of Hg- Aun and E112- Aun systems

    Rykova, E. A., Zaitsevskii, A., Mosyagin, N. S., Isaev, T. A. & Titov, A. V., 2006, In: Journal of Chemical Physics. 125, 24, 241102.

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

  8. 2005

  9. In search of the electron electric dipole moment: Relativistic correlation calculations of the P,T-violating effect in the ground state of HI+

    Isaev, T. A., Petrov, A. N., Mosyagin, N. S. & Titov, A. V., 14 Oct 2005, In: Physical Review Letters. 95, 16, 163004.

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

  10. Two-step method for precise calculation of core properties in molecules

    Titov, A. V., Mosyagin, N. S., Petrov, A. N. & Isaev, T. A., 5 Aug 2005, In: International Journal of Quantum Chemistry. 104, 2 SPEC. ISS., p. 223-239 17 p.

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

  11. Configuration-interaction calculation of hyperfine and P,T-odd constants on Pb207 O excited states for electron electric-dipole-moment experiments

    Petrov, A. N., Titov, A. V., Isaev, T. A., Mosyagin, N. S. & Demille, D., Aug 2005, In: Physical Review A - Atomic, Molecular, and Optical Physics. 72, 2, 022505.

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

  12. Accounting for correlations with core electrons by means of the generalized relativistic effective core potentials: Atoms Hg and Pb and their compounds

    Mosyagin, N. S. & Titov, A. V., 15 Jun 2005, In: Journal of Chemical Physics. 122, 23, 234106.

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

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