title: NLOPredict: visualization and data analysis software for nonlinear optics.
abstract: 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/.
authors: Department of Chemistry, Purdue University, West Lafayette, Indiana 47907, USA.
authors: Andrew J
authors: AJ
authors: Moad
authors: Charles W
authors: CW
authors: Moad
authors: John M
authors: JM
authors: Perry
authors: Ronald D
authors: RD
authors: Wampler
authors: G Scott
authors: GS
authors: Goeken
authors: Nathan J
authors: NJ
authors: Begue
authors: Tian
authors: T
authors: Shen
authors: Randy
authors: R
authors: Heiland
authors: Garth J
authors: GJ
authors: Simpson
mesh_terms: D017711:Nonlinear Dynamics; D055095:Optics and Photonics; D011506:Proteins / Q000737:chemistry*; D012984:Software; D013223:Statistics as Topic
chemical_list: D011506:Proteins