Квантово-хімічний аналіз адсорбції і механізмів хімічних реакцій на поверхні твердих тіл

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.

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Bibliographische Detailangaben
Datum:2010
1. Verfasser: Gun'ko, V. M.
Format: Artikel
Sprache:Russisch
Veröffentlicht: Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine 2010
Online Zugang:https://www.cpts.com.ua/index.php/cpts/article/view/1
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Назва журналу:Chemistry, Physics and Technology of Surface

Institution

Chemistry, Physics and Technology of Surface
Beschreibung
Zusammenfassung: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.