Works matching IS 09226168 AND DT 2004 AND VI 30 AND IP 1

Results: 10

A density functional theory study of the oxidation of methanol to formaldehyde over vanadia supported on silica, titania and zirconia.

Published in:

Research on Chemical Intermediates, 2004, v. 30, n. 1, p. 133, doi. 10.1163/156856704322798115

By:

Zhanpeisov, N. U.

Publication type:

Article

Preface.

Published in:

Research on Chemical Intermediates, 2004, v. 30, n. 1, p. 1, doi. 10.1163/156856704322798025

By:

Zilberberg, Igor;
Zhanpeisov, Nurbosyn U.

Publication type:

Article

List of publications of Professor G. M. Zhidomirov.

Published in:: Research on Chemical Intermediates, 2004, v. 30, n. 1, p. 5, doi. 10.1163/156856704322798034
Publication type:: Article

Models of finely dispersed MgO and V[sub 2]O[sub 5] on silica. Theoretical analysis of optical properties using TDDFT.

Published in:

Research on Chemical Intermediates, 2004, v. 30, n. 1, p. 41, doi. 10.1163/156856704322798043

By:

Avdeev, Vasilii I.;
Zhidomirov, Georgii M.

Publication type:

Article

Adsorption of NO, NH[sub 3] and H[sub 2]O on V[sub 2]O[sub 5]/TiO[sub 2] catalysts.

Published in:

Research on Chemical Intermediates, 2004, v. 30, n. 1, p. 65, doi. 10.1163/156856704322798052

By:

Bredow, Thomas;
Homann, Thorsten;
Jug, Karl

Publication type:

Article

Closed and open-shell atomic oxygen on silver: two distinct patterns of the O[sub 1s] binding energy and X-ray absorption O K-edge spectra as revealed by density functional theory.

Published in:

Research on Chemical Intermediates, 2004, v. 30, n. 1, p. 75, doi. 10.1163/156856704322798061

By:

Ruzankin, Sergei PH;
Zilberberg, Igor;
Zhidomirov, Georgii

Publication type:

Article

Exchange kernel of density functional response theory from the common energy denominator approximation (CEDA) for the Kohn–Sham Green's function.

Published in:

Research on Chemical Intermediates, 2004, v. 30, n. 1, p. 87, doi. 10.1163/156856704322798070

By:

Gritsenko, O. V.;
Baerends, E. J.

Publication type:

Article

Comparative energies of Zn(II) cation localization as a function of the distance between two forming cation position aluminium ions in high-silica zeolites.

Published in:

Research on Chemical Intermediates, 2004, v. 30, n. 1, p. 99, doi. 10.1163/156856704322798089

By:

Kachurovskaya, Nelly A.;
Zhidomirov, Georgii M.;
Van Santen, Rutger A.

Publication type:

Article

Estimates of magnetic resonance parameters in semi-empirical quantum chemistry.

Published in:

Research on Chemical Intermediates, 2004, v. 30, n. 1, p. 105, doi. 10.1163/156856704322798098

By:

Chuvylkin, N. D.;
Tokmachev, M.

Publication type:

Article

Intrinsic band gap in semiconductor oxides and Ti-silicalite: ab initio and DFT study.

Published in:

Research on Chemical Intermediates, 2004, v. 30, n. 1, p. 121, doi. 10.1163/156856704322798106

By:

Zhanpeisov, N. U.;
Tsujimaru, K.;
Anpo, M.

Publication type:

Article