| 1 |
Hidden radical reactivity of the [FeO](2+) group in the H-abstraction from methane: DFT and CASPT2 supported mechanism by the example of model iron (hydro)oxide species
Kovalskii V, Shubin A, Chen Y, Ovchinnikov D, Ruzankin SP, Hasegawa J, Zilberberg I, Parmon VN
Chemical Physics Letters, 679, 193, 2017 |
| 2 |
The routes of association of (hydro)oxo centers on iron hydroxide at the water oxidation process: DFT predictions
Shubin AA, Ruzankin SP, Zilberberg IL, Taran OP, Parmon VN
Chemical Physics Letters, 619, 126, 2015 |
| 3 |
Distinct activity of the oxyl Fe-III-O-center dot group in the methane dissociation by activated iron hydroxide: DFT predictions
Shubin AA, Ruzankin SP, Zilberberg IL, Parmon VN
Chemical Physics Letters, 640, 94, 2015 |
| 4 |
Expansion of the unrestricted determinant in the basis of paired orbitals
Zilberberg I, Ruzankin SP
Chemical Physics Letters, 394(1-3), 165, 2004 |
| 5 |
Unrestricted density functional theory of the bonding between NO radical and ferrous ion
Zilberberg I, Ruzankin SP, Malykhin S, Zhidomirov GM
Chemical Physics Letters, 394(4-6), 392, 2004 |
| 6 |
Experimental and theoretical studies of the electronic spectra of mixed framework phosphates of Zr and Co
Frolova YV, Avdeev VI, Ruzankin SP, Zhidomirov GM, Fedotov MA, Sadykov VA
Journal of Physical Chemistry B, 108(22), 6969, 2004 |
| 7 |
Oxygen adsorption on the Ag(111) surface: a quantum chemical study by the NDDO/MC method
Milov MA, Zilberberg IL, Ruzankin SP, Zhidomirov GM
Journal of Molecular Catalysis A-Chemical, 158(1), 309, 2000 |
| 8 |
Density- and density-matrix-based coupled Kohn-Sham methods for dynamic polarizabilities and excitation energies of molecules
Gorling A, Heinze HH, Ruzankin SP, Staufer M, Rosch N
Journal of Chemical Physics, 110(6), 2785, 1999 |
| 9 |
N-2 and Co Molecules as Probes of Zeolite Acidity - An Infrared-Spectroscopy and Density-Functional Investigation
Neyman KM, Strodel P, Ruzankin SP, Schlensog N, Knozinger H, Rosch N
Catalysis Letters, 31(2-3), 273, 1995 |
