Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/102377
Type: Artigo de periódico
Title: Theoretical Modeling Of Alkynes
Author: Rosseto R.
Vargas M.D.
Del Nero J.
Abstract: In this work we report a semiempirical investigation of the first excited states and of the spectroscopic properties of a series of substituted alkynes. The analysis of the calculated and experimental absorption spectra and theoretical emission spectra resulting from semiempirical/configuration interaction calculations gives us some insight as to how chemical modifications of these molecules could affect the nonlinear optical properties of alkynes.
Editor: 
Rights: fechado
Identifier DOI: 10.1002/qua.10663
Address: http://www.scopus.com/inward/record.url?eid=2-s2.0-0141904961&partnerID=40&md5=e2989dc48c4bd4ec753373dafc71f837
Date Issue: 2003
Appears in Collections:Unicamp - Artigos e Outros Documentos

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