Please use this identifier to cite or link to this item:
http://hdl.handle.net/10174/5059
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| Title: | Design and Synthesis of NLO Efficient Organometallic Molecules |
| Authors: | Mendes, Paulo J. G. |
| Keywords: | Non-linear optics
first hyperpolarizability
organometallics |
| Issue Date: | 2010 |
| Publisher: | ICCMSE 2010 | Eighth International Conference of Computational Methods in Sciences and Engineering |
| Citation: | ICCMSE 2010 Symposium 14: Non-Linear Optical Properties of Matter: From Molecules to Condensed Phases, Psalidi, Kos, Greece, 03-08 Oct 2010 |
| Abstract: | Second-order nonlinear optical (SO-NLO) properties of group 8 half-sandwich organometallic complexes have been intensively studied throughout the last 15 years, making this class of compounds relevant for the continuous search of NLO materials. This contribution surveys the ongoing efforts to design, characterize and optimize the NLO properties of this class of compounds. Computational studies, namely DFT calculations, were performed for several model molecules in order to predict the first hyperpolarizabilities and to support experimental evidences. |
| URI: | http://www.iccmse.org/ICCMSE2010/index.htm
http://hdl.handle.net/10174/5059 |
| Type: | lecture |
| Appears in Collections: | QUI - Artigos em Livros de Actas/Proceedings
CQE - Comunicações - Em Congressos Científicos Internacionais
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CQE - Centro de Química de Évora /
CQE - Comunicações - Em Congressos Científicos Internacionais /
