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First implementation of tight-binding methods (xTB) for quantum crystallographic refinement

;

In
Acta crystallographica / Section A 80(a1), Seiten/Artikel-Nr.:e642-e642

ImpressumOxford [u.a.] : Blackwell

ISSN2053-2733

Online
DOI: 10.1107/S2053273324093574


Einrichtungen

  1. Juniorprofessur für Molekulare Struktur kondensierter Materie mit großen Datenmengen (156730)
  2. Fachgruppe Chemie (150000)


Thematische Einordnung (Klassifikation)
DDC: 530


Dokumenttyp
Abstract/Journal Article

Format
online

Sprache
English

Externe Identnummern
WOS Core Collection: WOS:001397789000622

Interne Identnummern
RWTH-2025-03417
Datensatz-ID: 1009231

Beteiligte Länder
Germany

Lizenzstatus der Zeitschrift

 GO

Medline ; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; DEAL Wiley ; Ebsco Academic Search ; Essential Science Indicators ; NationallizenzNationallizenz ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection
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The record appears in these collections:
Document types > Articles > Journal Articles
Document types > Presentations > Abstracts
Faculty of Mathematics and Natural Sciences (Fac.1) > Department of Chemistry
Public records
Publications database
150000
 Record created 2025-04-02, last modified 2026-04-28
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