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  1. 2012

  2. Poly -N=N- linked 1,5-dihydro-1,5-diazocine, the two-dimensional polymer with Dirac insulator properties: Ab initio study

    Кеворкянц, Р. Э., 2012, In: Molecular Simulation. 38, 11, p. 886-891

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

  3. 2007

  4. Interaction between n-Alkane Chains: Applicability of the empirically corrected density functional theory for VdW complexes

    Goursot, A., Mineva, T., Kevorkyants, R. & Talbi, D., 2007, In: Journal of Chemical Theory and Computation. 3, 3, p. 755-763

    Research output: Contribution to journal › Article

  5. 2006

  6. Interaction energies in hydrogen-bonded systems: A testing ground for subsystem formulation of density-functional theory

    Dulak, M., Kevorkyants, R. & Wesolowski, T. A., 2006, In: Journal of Chemical Physics. 124, 2, p. 024104

    Research output: Contribution to journal › Article

  7. 2005

  8. One-electron equations for embedded electron density and their applications to study electronic structure of atoms and molecules in condensed phase

    Dulak, M., Kevorkiants, R., Tran, F. & Wesolowski, T. A., 2005, In: Chimia. 59, 7-8, p. 488-492

    Research output: Contribution to journal › Article

  9. 2004

  10. Porphyrin Trap its own Terminator Concerted and Stepwise Porphyrin Degradation Mechanism Induced by Heme-Oxygenase vs. Cytochrome P450

    Sharma, P. K., Kevorkiants, R., devisser, S. P., Kumar, D. & Shaik, S., 2004, In: ANGEWANDTE CHEMIE-INTERNATIONAL EDITION. 43, 9, p. 1129-1132

    Research output: Contribution to journal › Article

  11. 2003

  12. The performance of the semi-empirical AM1 method on small and nanometre-sized N2O clusters

    Haber, T., Kevorkiants, R., Thiel, W. & Suhm, M. A., 2003, In: Physical Chemistry Chemical Physics. 6, 21, p. 4939-4949

    Research output: Contribution to journal › Article

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