NLOPredict : visualization and data analysis software for nonlinear optics

Copyright 2007 Wiley Periodicals, Inc.

Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 28(2007), 12 vom: 05. Sept., Seite 1996-2002
1. Verfasser: Moad, Andrew J (VerfasserIn)
Weitere Verfasser: Moad, Charles W, Perry, John M, Wampler, Ronald D, Goeken, G Scott, Begue, Nathan J, Shen, Tian, Heiland, Randy, Simpson, Garth J
Format: Aufsatz
Sprache:English
Veröffentlicht: 2007
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article Research Support, Non-U.S. Gov't Research Support, U.S. Gov't, Non-P.H.S. Proteins
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520 |a 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/ 
650 4 |a Journal Article 
650 4 |a Research Support, Non-U.S. Gov't 
650 4 |a Research Support, U.S. Gov't, Non-P.H.S. 
650 7 |a Proteins  |2 NLM 
700 1 |a Moad, Charles W  |e verfasserin  |4 aut 
700 1 |a Perry, John M  |e verfasserin  |4 aut 
700 1 |a Wampler, Ronald D  |e verfasserin  |4 aut 
700 1 |a Goeken, G Scott  |e verfasserin  |4 aut 
700 1 |a Begue, Nathan J  |e verfasserin  |4 aut 
700 1 |a Shen, Tian  |e verfasserin  |4 aut 
700 1 |a Heiland, Randy  |e verfasserin  |4 aut 
700 1 |a Simpson, Garth J  |e verfasserin  |4 aut 
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