Search Results for "raman"

Over 1,000,000 page views per month. Jmol/JSmol is a molecular viewer for 3D chemical structures that runs in four independent modes: an HTML5-only web application utilizing jQuery, a Java applet, a stand-alone Java program (Jmol.jar), and a "headless" server-side component (JmolData.jar). Jmol can read many file types, including PDB, CIF, SDF, MOL, PyMOL PSE files, and Spartan files, as well as output from Gaussian, GAMESS, MOPAC, VASP, CRYSTAL, CASTEP, QuantumEspresso, VMD, and many other...

This is a simulation package developed for numerical simulation of ultrashort pulse propagation in optical media and pulse generation from mode-locked lasers. Although the code is primarily intended for investigations of fiber links, fiber amplifiers and fiber lasers, it can be applied to any other setting for which the governing equiations are valid. The physics included in the code is based on a generalized nonlinear Schrödinger equation, including higher order dispersion, stimulated Raman...

Read and handle (Baseline correction, Peakpeaking, Integration, Line fitting) multiple UV-Vis, IR, RAMAN spectra. The project can open .SPE PRINCETON type format and various txt formats however this will be updated in the future. You can make very nice figures 2D and 3D ready for publication.

MoCalc2012 is a simple, efficient Graphical User Interface for MOPAC, DFTB+, GAMESS(US), Firefly, NWChem, ORCA and PSI4.

A computer program for a fast and accurate determination of Sb/(Sb+As) content ratio in the tetrahedrite-tennantite and bournonite-seligmannite solid solution series by at least one spectral parameter (band position or relative intensity) of their Raman spectra.