Research on Chemical Intermediates

Preface
pp. 1-4(4)
Authors: Zilberberg I.; Zhanpeisov N.U.

List of publications of Professor G. M. Zhidomirov
pp. 5-39(35)

Models of finely dispersed MgO and V₂O₅ on silica. Theoretical analysis of optical properties using TDDFT
pp. 41-64(24)
Authors: Avdeev V.I.; Zhidomirov G.M.

Adsorption of NO, NH₃ and H₂O on V₂O₅/TiO₂ catalysts
pp. 65-73(9)
Authors: Bredow T.; Homann T.; Jug K.

Closed and open-shell atomic oxygen on silver: two distinct patterns of the O_1s binding energy and X-ray absorption O K-edge spectra as revealed by density functional theory
pp. 75-85(11)
Authors: Ruzankin S.P.h.; Zilberberg I.; Zhidomirov G.M.

Exchange kernel of density functional response theory from the common energy denominator approximation (CEDA) for the Kohn–Sham Green's function
pp. 87-98(12)
Authors: Gritsenko O.V.; Baerends E.J.

Comparative energies of Zn(II) cation localization as a function of the distance between two forming cation position aluminium ions in high-silica zeolites
pp. 99-103(5)
Authors: Kachurovskaya N.A.; Zhidomirov G.M.; van Santen R.A.

Estimates of magnetic resonance parameters in semi-empirical quantum chemistry
pp. 105-120(16)
Authors: Chuvylkin N.D.; Tokmachev A.M.

Intrinsic band gap in semiconductor oxides and Ti-silicalite: ab initio and DFT study
pp. 121-132(12)
Authors: Zhanpeisov N.U.; Tsujimaru K.; Anpo M.

A density functional theory study of the oxidation of methanol to formaldehyde over vanadia supported on silica, titania and zirconia
pp. 133-141(9)
Author: Zhanpeisov N.U.