Quantum Chemical Analysis of Adsorption and Mechanisms of Chemical Reactions at Solid Surface

Authors

Abstract

Analysis of ab initio, DFT and semiempirical quantum chemical methods was carried out with respect to investigations of adsorption and mechanisms of chemical reactions at solid surface.

Author Biography

V. M. Gun'ko, Chuiko Institute of Surface Chemistry of National Academy of Sciences of Ukraine

Professor, Doctor of Sciences (Chemistry)

Head of the Department of Amorphous and Structurally Ordered Oxides

References

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Gun’ko V M, Bogatyrev V M, Borysenko M V, et al., Appl. Surf. Sci., 2009, Doi: 10.1016/j.apsusc.2009.12.115.

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Published

01.02.2010

How to Cite

(1)
Gun’ko, V. M. Quantum Chemical Analysis of Adsorption and Mechanisms of Chemical Reactions at Solid Surface. Him. Fiz. Tehnol. Poverhni 2010, 1, 5–18.

Issue

Vol. 1 No. 1 (2010): Chemistry, Physics and Technology of Surface / Himia, Fizika ta Tehnologia Poverhni

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