The vibrational spectrum of CaCO3 aragonite: a combined experimental and quantum-mechanical investigation.
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On combining temperature and pressure effects on structural properties of crystals with standard ab initio techniques.Zinc oxide nanotubes: an ab initio investigation of their structural, vibrational, elastic, and dielectric properties.Infrared and Raman spectroscopic features of the self-interstitial defect in diamond from exact-exchange hybrid DFT calculations.Determining the band gap and mean kinetic energy of atoms from reflection electron energy loss spectra.In silico infrared and Raman spectroscopy under pressure: the case of CaSnO3 perovskite.The VN3H defect in diamond: a quantum-mechanical characterization.The Raman spectrum of CaCO3 polymorphs calcite and aragonite: a combined experimental and computational studyThe A-center defect in diamond: quantum mechanical characterization through the infrared spectrumCRYSTAL14: A program for theab initioinvestigation of crystalline solidsRaman spectrum of NaAlSi2O6jadeite. A quantum mechanical simulationFormation of low-T hydrated silicates in modern microbialites from Mexico and implications for microbial fossilization
P2860
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P2860
The vibrational spectrum of CaCO3 aragonite: a combined experimental and quantum-mechanical investigation.
description
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name
The vibrational spectrum of Ca ...... ntum-mechanical investigation.
@en
The vibrational spectrum of Ca ...... ntum-mechanical investigation.
@nl
type
label
The vibrational spectrum of Ca ...... ntum-mechanical investigation.
@en
The vibrational spectrum of Ca ...... ntum-mechanical investigation.
@nl
prefLabel
The vibrational spectrum of Ca ...... ntum-mechanical investigation.
@en
The vibrational spectrum of Ca ...... ntum-mechanical investigation.
@nl
P2093
P2860
P356
P1476
The vibrational spectrum of Ca ...... ntum-mechanical investigation.
@en
P2093
Alessandro Erba
Cédric Carteret
Fabien Pascale
Manuel Dossot
Marco De La Pierre
Roberto Dovesi
P2860
P304
P356
10.1063/1.4772960
P407
P577
2013-01-01T00:00:00Z