Recent progress in the computation of non linear optical properties of chiral systems (Articolo in rivista)

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Label
  • Recent progress in the computation of non linear optical properties of chiral systems (Articolo in rivista) (literal)
Anno
  • 2007-01-01T00:00:00+01:00 (literal)
Alternative label
  • Rizzo A. (2007)
    Recent progress in the computation of non linear optical properties of chiral systems
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Rizzo A. (literal)
Pagina inizio
  • 379 (literal)
Pagina fine
  • 388 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 963 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#note
  • COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING: Theory and Computation: Old Problems and New Challenges. Lectures Presented at the International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • IPCF del CNR (literal)
Titolo
  • Recent progress in the computation of non linear optical properties of chiral systems (literal)
Abstract
  • An account is given of the recent progresses observed in the theoretical and computational prediction of non linear frequency-dependent properties of systems involving molecules with chiral centers or immersed in a chiral environment. The discussion will cover the analysis of the two-photon circular dichroic response of helicenes, typical prototypes of structurally chiral systems; of R-(+)-3 methyl cyclopentanone, a likely candidate for a first direct measurement of two-photon circular dichroism; and more generally of the whole class of natural essential aminoacids. Particular attention will be given to the effects of the environment and of conformational flexibility. A second topic will involve a report on the conclusions of extended ab initio studies of magnetochiral birefringence and of Faraday classical (and optical) rotation, two examples of how non-linear optical properties can be a challenging subject where computational science can play a fundamental predictive and rationalizin (literal)
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