NLOPredict Publisher's description
from NLOPredict team
NLOPredict is a nonlinear optical prediction and data analysis tool.
NLOPredict is a nonlinear optical prediction and data analysis tool. Currently, it is implemented as a plugin for the UCSF CHIMERA molecular modeling system. Nonlinear optical measurements can yield information about the structure of crystals, the orientation of molecules at surfaces and interfaces, and materials design properties. Identical molecules in different arrangements will result in drastically different measured nonlinear optical properties. NLOPredict provides a rapid means of predicting and visualizing the polarization-dependent nonlinear optical responses of individual molecules, biopolymers, biopolymer assemblies, and crystals as a function of orientation. The software package is designed to bridge quantum chemical calculations of molecular properties with experimental laboratory-frame measurements.
System Requirements:В· Python
Program Release Status: New Release
Program Install Support: Install and Uninstall