On the spectral features of dangling bonds in CH4/H2O amorphous ice mixtures

descriptionPublicationkeyboard_double_arrow_right Article 01 Jan 2021 Spain English Publisher:Royal Society of Chemistry (RSC)Journal:Physical Chemistry Chemical Physics, volume 23, pages 9,532-9,538 (issn: 1463-9076, eissn: 1463-9084,

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Authors: Belén Maté; Miguel Á. Satorre; Rafael Escribano;

doi: 10.1039/d1cp00291k

pmid: 33885107

handle: 10261/254351

On the spectral features of dangling bonds in CH4/H2O amorphous ice mixtures

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Abstract

Dangling bond bands of pure H2O and CH4/H2O ice mixtures are studied at density functional theory levels. Agreement with experiments on frequency shifts and intensity enhancements of infrared dangling bond bands was found.

Country

Spain

Related Organizations

Spanish National Research Council
Spain
Universitat Politècnica de València
Spain
Complutense University of Madrid
Spain
Institute for the Structure of Matter
Spain

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