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Please use this identifier to cite or link to this item: https://elib.bsu.by/handle/123456789/105870
Title: Неэмпирические расчеты кластеров полупроводников
Authors: Гурин, Валерий Степанович
Issue Date: 2001
Publisher: Мінск : БДУ
Citation: Выбраныя навуковыя працы Беларускага Дзяржаўнага універсітэта : У 7 т. Т. 5 : Хімія / Рэдкал.: В. В. Свірыдаў (адказ. рэд.) і інш. - Мінск, 2001. - с.169-177
Abstract: Results of nonempirica l quantum chemical MOLCAO calculations of different size semiconductor clusters are analysed. The clusters under study contain up to tens of atoms, and several series of CdxSy (x) 17, y j 32) are considered including also additionally joined hydrogen atoms and organic moieties. A dependenc e of geometry and electroni c structure on cluster sizes and the nature of terminating groups is investigated. A correspondenc e with experiment is indicated for these clusters.
URI: http://elib.bsu.by/handle/123456789/105870
ISBN: 985-445-534-3 (Т. 5)
Appears in Collections:Избранные научные труды Белорусского государственного университета. Химия

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