Please use this identifier to cite or link to this item: https://hdl.handle.net/10356/96006
Title: Electronic structure and optical properties of conjugated molecules : SAC-CI study
Authors: Ehara, Masahiro
Lu, Yunpeng
Promkatkaew, Malinee
Hannongbua, Supa
Keywords: DRNTU::Science::Physics::Optics and light
Issue Date: 2012
Source: Ehara, M., Lu, Y. P., Promkatkaew, M., & Hannongbua, S. (2012). Electronic structure and optical properties of conjugated molecules: SAC-CI study. International Conference Of Computational Methods In Sciences And Engineering 2009: (ICCMSE 2009), 1504(7), pp.848-851.
Abstract: Electronic structure and optical properties of some organic conjugated molecules, chelating hetero-atomic conjugated ligands and some derivatives of the UVB blocking cinnamates, have been investigated by the SAC-CI method. The absorption and emission spectra of these molecules have been reproduced in high accuracy. The excited-state geometry relaxation was interpret based on the electrostatic force theory. The present work provides a useful basis for the theoretical design predicting the optical properties of the molecules.
URI: https://hdl.handle.net/10356/96006
http://hdl.handle.net/10220/10073
DOI: http://dx.doi.org/10.1063/1.4771827
Rights: © 2012 American Institute of Physics. his paper was published in International Conference Of Computational Methods In Sciences And Engineering 2009: (ICCMSE 2009) and is made available as an electronic reprint (preprint) with permission of American Institute of Physics. The paper can be found at the following official DOI: [http://dx.doi.org/10.1063/1.4771827]. One print or electronic copy may be made for personal use only. Systematic or multiple reproduction, distribution to multiple locations via electronic or other means, duplication of any material in this paper for a fee or for commercial purposes, or modification of the content of the paper is prohibited and is subject to penalties under law.
Fulltext Permission: open
Fulltext Availability: With Fulltext
Appears in Collections:SPMS Conference Papers

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