On the importance of low-frequency modes in predicting pressure-induced phase transitions.

Journal

Physical chemistry chemical physics : PCCP
ISSN: 1463-9084
Titre abrégé: Phys Chem Chem Phys
Pays: England
ID NLM: 100888160

Informations de publication

Date de publication:
30 Jul 2024
Historique:
medline: 30 7 2024
pubmed: 30 7 2024
entrez: 30 7 2024
Statut: aheadofprint

Résumé

The occurrence of ultra-low frequency oscillation mode as observed by means of periodic DFT calculations at

Identifiants

DOI: 10.1039/d4cp02368d PMID: 39078650
pubmed: 39078650
doi: 10.1039/d4cp02368d
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Auteurs

Anna Hoser (A)

Faculty of Chemistry, University of Warsaw, Żwirki i Wigury 101, 02-089, Warszawa, Poland. am.makal@uw.edu.pl.
ORCID: 0000-0002-6799-3073

Aleksandra Zwolenik (A)

Faculty of Chemistry, University of Warsaw, Żwirki i Wigury 101, 02-089, Warszawa, Poland. am.makal@uw.edu.pl.
ORCID: 0000-0002-6268-2612

Anna Makal (A)

Faculty of Chemistry, University of Warsaw, Żwirki i Wigury 101, 02-089, Warszawa, Poland. am.makal@uw.edu.pl.
ORCID: 0000-0001-9357-2670

Classifications MeSH