
Prediction and Analysis of IR Spectra using Unified Group Theory.pdf
We studied Standard and Unified group theories. Using a combination of Unified group theory and computer aided analysis, Gaussian09 [1] with GaussView [2] as a GUI and MOLVIB [3], we derived PED (potential energy distribution) data for molecular vibrations. We assigned IR spectra for three molecules: H2O, COCl2 and CH3NH2.
Files
Metadata
Work Title | Prediction and Analysis of IR Spectra using Unified Group Theory.pdf |
---|---|
Access | |
Creators |
|
Keyword |
|
License | Attribution-NonCommercial-NoDerivs 3.0 United States |
Work Type | Poster |
Publication Date | April 9, 2016 |
Language |
|
Deposited | July 31, 2016 |
Versions
Analytics
Collections
This resource is currently not in any collection.