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