NLOPredict : visualization and data analysis software for nonlinear optics
Copyright 2007 Wiley Periodicals, Inc.
| Publié dans: | Journal of computational chemistry. - 1984. - 28(2007), 12 vom: 05. Sept., Seite 1996-2002 |
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| Auteur principal: | |
| Autres auteurs: | , , , , , , , |
| Format: | Article |
| Langue: | English |
| Publié: |
2007
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| Accès à la collection: | Journal of computational chemistry |
| Sujets: | Journal Article Research Support, Non-U.S. Gov't Research Support, U.S. Gov't, Non-P.H.S. Proteins |
| Résumé: | Copyright 2007 Wiley Periodicals, Inc. A data analysis and visualization program was developed to assist in the interpretation of second-order nonlinear optical (NLO) processes, including vibrational sum-frequency generation and electronically resonant second harmonic generation. A novel diagrammatic approach allows concise visual representations of the resonant NLO molecular response. By mapping the predicted NLO response as a function of molecular orientation, molecular modeling results can be combined with experimental measurements for orientational analysis. A method is developed and implemented to predict the nonlinear optical properties of the amide backbones in complete proteins with known structures. NLOPredict is available for most computer operating systems from http://sda.iu.edu/nlopredict/ |
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| Description: | Date Completed 05.09.2007 Date Revised 21.11.2008 published: Print Citation Status MEDLINE |
| ISSN: | 1096-987X |