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Application of electrostatic and multi-layer embedding in Hirshfeld atom refinements: a cost-effective approach for approximating bulk effects in crystalline environments

;

In
Journal of applied crystallography 59(5), Seiten/Artikel-Nr.:1467-1477

ImpressumCopenhagen : Munksgaard

ISSN0021-8898

Online
DOI: 10.1107/S160057672600717X


Einrichtungen

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

Projekte

  1. OAPKF - Open-Access-Publikation mit Unterstützung der RWTH Aachen University (021000-OAPKF) (021000-OAPKF)
  2. DFG project G:(GEPRIS)470146201 - Bestimmung der Oxidationsstufen aus Einkristallbeugungsexperimenten (470146201) (470146201)

Thematische Einordnung (Klassifikation)
DDC: 540


Dokumenttyp
Journal Article

Format
online

Sprache
English

Anmerkung
Peer reviewed article

Interne Identnummern
RWTH-2026-09349
Datensatz-ID: 1042397

Lizenzstatus der Zeitschrift

 GO

Medline ; OpenAccess ; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; DEAL Wiley ; Ebsco Academic Search ; Essential Science Indicators ; IF >= 5 ; JCR ; NationallizenzNationallizenz ; PubMed Central ; 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
Faculty of Mathematics and Natural Sciences (Fac.1) > Department of Chemistry
Documents in print
Public records
Publication Charges
150000
TypAmountVATCurrencyShareStatusCost centre
Hybrid-OA3150.00220.50EUR97.31 %(DEAL)021000-156730
Other87.006.09EUR2.69 %(DEAL)021000-156730
Sum3237.00226.59EUR   
Total3463.59     
 Record created 2026-10-05, last modified 2026-10-07
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