vibrational-spectroscopy
There are 0 repository under vibrational-spectroscopy topic.
- BoxSERS
ALebrun-108 / BoxSERS
Python package that provides a full range of functionality to process and analyze vibrational spectra (Raman, SERS, FTIR, etc.).
Language:Jupyter Notebook 53 - PyVibMSLanguage:Python 37
chjacob-tubs / Vibrations
Vibrations - a Python Code for Anharmonic Theoretical Vibrational Spectroscopy
Language:Python 9Python tools for localizing normal modes
Language:Python 7- Language:Python 7
ankit7540 / RamanSpec_BasicOperations
Procedures (for IgorPro) to perform operations needed in day to day analysis of spectroscopic data. For example, Raman or infrared spectra where the data is structured as array of 1-D or 2-D waves.
Language:IGOR Pro 3bastonero / aiida-vibroscopy
Automated all-functionals infrared and Raman spectra, and phonons.
Language:Python 3EdwardCalzia / Vibrational-Spectroscopy-of-Organic-Molecules
Simulates the vibrational spectra of organic molecules such as amino acids, peptides, or nucleic acids using PyVib2's vibrational perturbation theory algorithm with a DFT potential energy surface. Analyzes the vibrational spectra and investigates the effects of different functional groups and conformations.
Language:Fortran 1- Language:HTML 1
piskuliche / EmpiricalMapping
This is a code for generating empirical maps from molecular dynamics simulations (and electronic structure calculations).
Language:Python 1sodelab / SI_CO2Trimers
SI documentation for the journal article entitled, "Exploring the anharmonic vibrational structure of CO2 trimers."
- Language:GLSL 0
