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The accuracy of carbon-13 NMR magnetic-shielding tensors calculated using periodic DFT: a case study on the distinction of crystalline serine phases

; ; ; ; ; ; ;

In
Physical chemistry, chemical physics : PCCP 28(9), Seiten/Artikel-Nr.:5981-5991

ImpressumCambridge : RSC Publ.

ISSN1463-9084

Online
DOI: 10.18154/RWTH-2026-02481
DOI: 10.1039/D5CP04690D

URL: https://publications.rwth-aachen.de/record/1029656/files/1029656.pdf

Einrichtungen

  1. Lehrstuhl für Organische Chemie II und Institut für Organische Chemie (152310)
  2. Fachgruppe Chemie (150000)
  3. Lehr- und Forschungsgebiet Magnetische Resonanz komplexer Materialien und Katalysatoren (MPG) (156620)
  4. Lehrstuhl und Institut für Kristallographie (542110)
  5. Fachgruppe Geowissenschaften (530000)
  6. Lehrstuhl für Biotechnologie (162610)
  7. Fachgruppe Biologie (160000)
  8. Center for Computational Life Science (080079)


Thematische Einordnung (Klassifikation)
DDC: 540

OpenAccess:
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Dokumenttyp
Journal Article

Format
online, print

Sprache
English

Anmerkung
Peer reviewed article

Externe Identnummern
SCOPUS: SCOPUS:2-s2.0-105030265230
WOS Core Collection: WOS:001692144800001
OpenAlex: W7129750600

Interne Identnummern
RWTH-2026-02481
Datensatz-ID: 1029656

Beteiligte Länder
Germany

Lizenzstatus der Zeitschrift

 GO

Medline ; Creative Commons Attribution CC BY 3.0 ; OpenAccess ; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; Essential Science Indicators ; IF < 5 ; JCR ; National-Konsortium ; 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 Georesources and Materials Engineering (Fac.5) > Division of Earth Sciences and Geography
Faculty of Mathematics and Natural Sciences (Fac.1) > Department of Chemistry
Faculty of Mathematics and Natural Sciences (Fac.1) > Department of Biology
Publication server / Open Access
Central and Other Institutions
Public records
Publications database
156620
542110
152310
150000
080079
530000
160000
162610
 Record created 2026-03-02, last modified 2026-09-11
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