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Highspin molecular magnetism of silicon surfaces
Sheka E.F., Nikitina E.A., Zayets V.A.
High-spin silicon fullerene Si60 and its oligomers
Sheka E.F., Nikitina E.A., Zayets V.A., Ginzburg I.Ya.
TUNCUR: Sequential codes for semiempirical quantum-chemical calculations of tunneling current
Zayets V.A., Sheka E.F.
TUNCUR codes are aimed at a coherent calculation of both equilibrated structures and electronic
Carboxylic species adsorption on TiO2 nanoparticles
Sheka E.F., Nikitina E.A., Zayets V.A., Ginzburg I.Ya., Schoonman J.
We present the results of a quantum-chemical study of the interface formed by titania nanoparticles
The method of swarf removal when drilling deep holes
Vakulenko, V. S., Zayets, S. S.
On the donor-acceptor interaction and electron transfer at the titanium oxide-organic dye interface
Sheka E.F., Zayets V.A.
The interface formed by a titanium oxide nanoparticle and a set of carboxyl molecules is quantum
Quantum-chemical study of the interface formed by carboxylic species on TiO2 nanoparticles. 1. Nanoparticle surface
Sheka E.F., Nikitina E.A., Ginzburg I.Ya., Schoonman J., Zayets V.A.
Towards ultrafast electron transfer on titania/organic dye interface
Sheka E.F., Zayets V.A.
The current paper presents new aspects of a quantum-chemical study of the interface formed
TUNCUR: Sequential codes for semiempirical quantum chemical calculations of tunneling current
Zayets V.A., Sheka E.F.
TUNCUR codes are aimed at a self-consistent calculation of both equilibrated structures
Carboxylic species adsorption on TiO2 nanoparticles
Sheka E.F., Nikitina E.A., Ginzburg I.Ya., Schoonman J., Zayets V.A.
We present the results of a quantum-chemical study of the interface formed by titania nanoparticles

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