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000201307 1001_ $$0P:(DE-HGF)0$$aConte, A. Mosca$$b0$$eCorresponding Author
000201307 245__ $$aTheoretical optical spectroscopy of complex systems
000201307 260__ $$aNew York, NY [u.a.]$$bElsevier$$c2013
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000201307 520__ $$aWe review here some of the most reliable and efficient computational theoretical ab initio techniques for the prediction of optical and electronic spectroscopic properties and show some important applications to molecules, surfaces, and solids. We investigate the role of the solvent in the optical absorption spectrum of indole molecule. We study the excited-state properties of a photo-active minimal model molecule for the retinal of rhodopsin, responsible for vision mechanism in animals. We then show a study about spectroscopic properties of Si(1 1 1) surface. Finally we simulate a bulk system: paper, that is mainly made of cellulose, a pseudo-crystalline material representing 40% of annual biomass production in the Earth.
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000201307 7001_ $$0P:(DE-HGF)0$$aViolante, C.$$b1
000201307 7001_ $$0P:(DE-HGF)0$$aMissori, M.$$b2
000201307 7001_ $$0P:(DE-HGF)0$$aBechstedt, F.$$b3
000201307 7001_ $$0P:(DE-HGF)0$$aTeodonio, L.$$b4
000201307 7001_ $$0P:(DE-Juel1)146009$$aIppoliti, E.$$b5$$ufzj
000201307 7001_ $$0P:(DE-Juel1)145614$$aCarloni, P.$$b6$$ufzj
000201307 7001_ $$0P:(DE-HGF)0$$aGuidoni, L.$$b7
000201307 7001_ $$0P:(DE-HGF)0$$aPulci, O.$$b8
000201307 773__ $$0PERI:(DE-600)1491139-5$$a10.1016/j.elspec.2013.02.002$$gVol. 189, p. 46 - 55$$p46 - 55$$tJournal of electron spectroscopy and related phenomena$$v189 S$$x0368-2048$$y2013
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