Raman spectrum of NaAlSi2O6jadeite. A quantum mechanical simulation-Reference-Cited by-同舟云学术

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Raman spectrum of NaAlSi2O6jadeite. A quantum mechanical simulation

Published:2014-06-16 Issue:8 Volume:45 Page:703-709
ISSN:0377-0486
Container-title:Journal of Raman Spectroscopy
language:en
Short-container-title:J. Raman Spectrosc.

Author:

Prencipe Mauro¹,Maschio Lorenzo²,Kirtman Bernard³,Salustro Simone²,Erba Alessandro²,Dovesi Roberto²

Affiliation:

1. Department of Earth Sciences; Università di Torino; Turin Italy

2. Dipartimento di Chimica; Università di Torino and NIS (Nanostructured Interfaces and Surfaces) Centre of Excellence; Turin Italy

3. Department of Chemistry and Biochemistry; University of California; Santa Barbara, CA 93106 USA

Publisher

Wiley

Subject

Spectroscopy,General Materials Science

Reference42 articles.

1. The IR vibrational properties of six members of the garnet family: A quantum mechanical ab initio study

2. The vibrational spectrum of CaCO3aragonite: A combined experimental and quantum-mechanical investigation

3. Use ofab initiomethods for the interpretation of the experimental IR reflectance spectra of crystalline compounds

4. The infrared spectrum of ortho-enstatite from reflectance experiments and first-principle simulations

5. Ab initioanalytical Raman intensities for periodic systems through a coupled perturbed Hartree-Fock/Kohn-Sham method in an atomic orbital basis. I. Theory

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