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Items for Keyword "Ab initio calculations"

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TitleAuthor(s)SourcePage(s)Full Text Article
Electronic structures of the electron donor-acceptor complexes of fullerenes C60 and C70 with azulene and some of its derivatives employing ab initio and DFT methods Manna, Tapas; Banerjee, Shrabanti; Bhattacharya, Sumanta IJC-A Vol.49A(11) [November 2010] 1461-1467 View Full Text
Intermolecular interaction in the benzene-Arn and benzene dimer van der Waals complexes: DFT analysis of the charge distribution and electric response properties Hilal, Rifaat; Hassan, Walid M I; Alyoubi, Abdulrahman; Aziz, Saadallah G; Elroby, Shabaan A K IJC-A Vol.52A(01) [January 2013] 19-27 View Paper


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