PROPERTIES OF THE NBR MOLECULE IN ARGON CLUSTERSстатья
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Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
Аннотация:Vibrational and electronic properties of the NBr molecule isolated in a low temperature argon matrix have been modelled within the cluster approach. Molecular dynamics simulation techniques and quantum chemical approaches have been used to study the NBr/Ar-n heteroclusters. The shifts in spectral features as well as changes in orbital properties of NBr due to surrounding argon atoms are discussed.