A theoretical study of the time-resolved x-ray absorption spectrum of the photoionized BT-1T cation.


Journal

Structural dynamics (Melville, N.Y.)
ISSN: 2329-7778
Titre abrégé: Struct Dyn
Pays: United States
ID NLM: 101660872

Informations de publication

Date de publication:
May 2023
Historique:
received: 07 02 2023
accepted: 01 05 2023
medline: 30 5 2023
pubmed: 30 5 2023
entrez: 30 5 2023
Statut: epublish

Résumé

The time-resolved x-ray absorption spectrum of the BT-1T cation (BT-1T

Identifiants

pubmed: 37250952
doi: 10.1063/4.0000183
pii: 4.0000183
pmc: PMC10224778
doi:

Types de publication

Journal Article

Langues

eng

Pagination

034102

Informations de copyright

© 2023 Author(s).

Déclaration de conflit d'intérêts

The authors have no conflicts to disclose.

Références

J Chem Theory Comput. 2018 Mar 13;14(3):1501-1509
pubmed: 29444408
J Chem Theory Comput. 2015 Jul 14;11(7):2994-9
pubmed: 26575736
J Comput Aided Mol Des. 2000 Feb;14(2):123-34
pubmed: 10721501
ACS Appl Mater Interfaces. 2017 May 31;9(21):18095-18102
pubmed: 28481497
Nat Commun. 2017 Jun 22;8(1):29
pubmed: 28642477
J Phys Chem A. 2008 Dec 18;112(50):13164-71
pubmed: 18729344
J Chem Phys. 2014 May 28;140(20):204302
pubmed: 24880275
Nat Commun. 2021 Aug 18;12(1):5003
pubmed: 34408141
Philos Trans A Math Phys Eng Sci. 2019 May 20;377(2145):20170473
pubmed: 30929626
Chem Rev. 2004 Apr;104(4):1781-812
pubmed: 15080712
Phys Chem Chem Phys. 2019 Feb 13;21(7):4082-4095
pubmed: 30719515
J Chem Theory Comput. 2011 May 10;7(5):1253-8
pubmed: 26610121
Phys Chem Chem Phys. 2017 May 31;19(21):13604-13613
pubmed: 28518198
Chem Rev. 2009 Mar 11;109(3):897-1091
pubmed: 19228015
J Chem Phys. 2005 Aug 8;123(6):62206
pubmed: 16122292
Faraday Discuss. 2015;177:111-9
pubmed: 25607832
Wiley Interdiscip Rev Comput Mol Sci. 2018 Nov-Dec;8(6):e1370
pubmed: 30450129
Struct Dyn. 2019 Jul 23;6(4):044102
pubmed: 31372369
J Chem Phys. 2019 Dec 28;151(24):244115
pubmed: 31893890
J Chem Theory Comput. 2023 Jun 27;19(12):3634-3651
pubmed: 37283439
Phys Chem Chem Phys. 2017 Aug 2;19(30):20251-20258
pubmed: 28726889
J Chem Theory Comput. 2019 May 14;15(5):3117-3133
pubmed: 30964297
Science. 2017 Apr 7;356(6333):54-59
pubmed: 28386006
J Am Chem Soc. 2017 Nov 22;139(46):16576-16583
pubmed: 29083165
Science. 2018 Sep 14;361(6407):1094-1098
pubmed: 30093603
J Chem Theory Comput. 2021 Mar 9;17(3):1618-1637
pubmed: 33544612
Struct Dyn. 2020 Jul 06;7(4):044101
pubmed: 32665964
Chem Soc Rev. 2018 Jun 18;47(12):4279-4294
pubmed: 29736541
J Chem Phys. 2016 Oct 14;145(14):144307
pubmed: 27782524
Sci Bull (Beijing). 2020 Feb 26;65(4):272-275
pubmed: 36659090
Struct Dyn. 2021 Mar 12;8(2):024101
pubmed: 33786337
Nat Commun. 2015 Mar 02;6:6359
pubmed: 25727920
J Chem Phys. 2005 Aug 8;123(6):62201
pubmed: 16122287
Front Chem. 2019 Feb 12;7:61
pubmed: 30809519
Nat Mater. 2007 Jul;6(7):497-500
pubmed: 17529968

Auteurs

Anna Kristina Schnack-Petersen (AK)

Department of Chemistry, Technical University of Denmark, DK-2800 Kongens Lyngby, Denmark.

Sonia Coriani (S)

Department of Chemistry, Technical University of Denmark, DK-2800 Kongens Lyngby, Denmark.

Klaus Braagaard Møller (KB)

Department of Chemistry, Technical University of Denmark, DK-2800 Kongens Lyngby, Denmark.

Classifications MeSH