Professor Maija Kukla

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About Dr. Roman Tsyshevskiy

E-mail:rtsyshev@umd.edu

RomanEducation

Professional Experience:

Research Interests/Overview:

Performing research on ab initio and multi-scale modeling of materials for energy and security applications, their chemical and physical properties and complex chemical reactions in gaseous and crystalline phases.

Publications:

  1. R.V. Tsyshevskiy, O. Sharia, M.M. Kuklja,“Effect of impurities on optical properties of pentaerythritol tetranitrate”, AIP Conf. Proc., 1426, 1183 (2012); doi: 10.1063/1.3686491
  2. G.M. Khrapkovskii, A.G. Shamov, R.V. Tsyshevsky, D.V. Chachkov, D.L. Egorov, I.V. Aristov, “Effect of halogen substituents on C-N bond strength in nitromethane”, COMPTC, 985, 80, (2012).
  3. G.M. Khrapkovskii, A.G. Shamov, R.V. Tsyshevsky, D.V. Chachkov, D.L. Egorov, I.V. Aristov, “Estimations of activation and enthalpies of reaction for HONO elimination from C2-C4 mononitroalkanes: A theoretical study”, COMPTC, 966 , 265, (2011).
  4. G.M. Khrapkovskii, A.G. Shamov, R.V. Tsyshevsky, D.V. Chachkov, D.L. Egorov, I.V. Aristov, “Estimations of activation and enthalpies of reaction for HONO elimination from C2-C4 mononitroalkanes: A theoretical study”, COMPTC, 966 , 265, (2011).
  5. G.M. Khrapkovskii, R.V. Tsyshevsky, D.V. Chachkov, D.L. Egorov, A.G. Shamov, “Formation enthalpies and bond dissociation enthalpies for C1-C4 mononitroalkanes by composite and DFT/B3LYP methods”, Journal of Molecular Structure: THEOCHEM, 958,1, (2010).
  6. G.M. Khrapkovskii, R.V. Tsyshevsky, D.V. Chachkov, D.L. Egorov, A.G. Shamov, “Formation enthalpies and bond dissociation enthalpies for C1-C4 mononitroalkanes by composite and DFT/B3LYP methods”, Journal of Molecular Structure: THEOCHEM, 958,1, (2010).
  7. R.V. Tsyshevsky, G.G Garifzianova, A.G. Shamov, G.M. Khrapkovskii, “Methane elimination from n-pentane”, Int J Quantum Chem, 109, 196, (2009).
  8. R.V. Tsyshevsky, G.G Garifzianova, A.G. Shamov, G.M. Khrapkovskii, “Methane elimination from n-pentane”, Int J Quantum Chem, 109, 196, (2009).
  9. G.G Garivzianova, R.V. Tsyshevskii, A.G. Shamov, G.M. Khrapkovskii, “A quantum-chemical study of n-butane and of butane cation radical”, Int. J Quantum Chem, 107, 2489, (2007).