Ab initio quantum-mechanical prediction of the IR and Raman spectra of Ca3Cr2Si3O12Uvarovite garnet
Author:
Funder
Italian MURST
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/qua.22285/fullpdf
Reference29 articles.
1. Vibration Frequencies of Mg3Al2Si3O12 Pyrope. An ab Initio Study with the CRYSTAL Code
2. Vibration Frequencies of Ca3Fe2Si3O12 Andradite: An ab Initio Study with the CRYSTAL Code
3. Ab initiosimulation of the IR spectra of pyrope, grossular, and andradite
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