Changes in Structure and Reactivity of Ng

density functional theory encapsulation fullerene information-theoretic approach noble gas dimer

Journal

Frontiers in chemistry
ISSN: 2296-2646
Titre abrégé: Front Chem
Pays: Switzerland
ID NLM: 101627988

Informations de publication

Date de publication:
2020
Historique:
received: 24 02 2020
accepted: 02 06 2020
entrez: 29 7 2020
pubmed: 29 7 2020
medline: 29 7 2020
Statut: epublish

Résumé

Noble gas can be no noble in certain situations from the perspective of structure, bonding, and reactivity. These situations could be extreme experimental conditions or others. In this contribution, we systematically investigate the impact of fullerene encapsulation on molecular structure and chemical reactivity of noble gas dimers (Ng

Identifiants

pubmed: 32719776
doi: 10.3389/fchem.2020.00566
pmc: PMC7350904
doi:

Types de publication

Journal Article

Langues

eng

Pagination

566

Informations de copyright

Copyright © 2020 Li, He, Wang, Zhao, Rong, Chattaraj and Liu.

Références

Chemistry. 2015 Apr 7;21(15):5760-8
pubmed: 25712338
Phys Rev B Condens Matter. 1988 Jan 15;37(2):785-789
pubmed: 9944570
Science. 1963 May 31;140(3570):974-5
pubmed: 17836480
J Comput Chem. 2012 Feb 15;33(5):580-92
pubmed: 22162017
Chemistry. 2007;13(29):8256-70
pubmed: 17639524
J Phys Chem A. 2013 Feb 7;117(5):962-5
pubmed: 23327680
J Am Chem Soc. 2002 May 29;124(21):6216-9
pubmed: 12022857
Molecules. 2019 Aug 13;24(16):
pubmed: 31412650
J Comput Chem. 2020 Jun 30;41(17):1645-1653
pubmed: 32267977
Chem Rev. 2003 May;103(5):1793-873
pubmed: 12744694
J Comput Chem. 2018 Jul 5;39(18):1090-1102
pubmed: 28877370
Chem Rev. 2013 Aug 14;113(8):5989-6113
pubmed: 23635015
Chemistry. 2018 Mar 20;24(17):4245-4249
pubmed: 29431245
J Phys Chem A. 2014 May 22;118(20):3698-704
pubmed: 24784465
Phys Chem Chem Phys. 2011 Mar 7;13(9):3585-603
pubmed: 21109874
Nanoscale Res Lett. 2015 Apr 17;10:185
pubmed: 25983673
Proc Natl Acad Sci U S A. 1984 Dec;81(24):8028-31
pubmed: 6595675
Chemistry. 2009 Dec 7;15(47):13111-23
pubmed: 19859923
J Chem Phys. 2007 Jun 28;126(24):244103
pubmed: 17614533
Phys Chem Chem Phys. 2019 Jul 17;21(28):15815-15822
pubmed: 31282514
Angew Chem Int Ed Engl. 2018 Oct 15;57(42):13931-13934
pubmed: 30152567
J Am Chem Soc. 2010 May 12;132(18):6498-506
pubmed: 20394428
Phys Chem Chem Phys. 2014 Dec 21;16(47):26294-305
pubmed: 25363607
Science. 1993 Mar 5;259(5100):1428-30
pubmed: 17801275

Auteurs

Meng Li (M)

Department of Chemistry, College of Chemistry and Chemical Engineering, Hunan Normal University, Changsha, China.

Xin He (X)

Department of Chemistry, College of Chemistry and Chemical Engineering, Hunan Normal University, Changsha, China.

Bin Wang (B)

Department of Chemistry, College of Chemistry and Chemical Engineering, Hunan Normal University, Changsha, China.

Dongbo Zhao (D)

School of Chemistry and Chemical Engineering, Nanjing University, Nanjing, China.

Chunying Rong (C)

Department of Chemistry, College of Chemistry and Chemical Engineering, Hunan Normal University, Changsha, China.

Pratim K Chattaraj (PK)

Department of Chemistry and Center for Theoretical Studies, Indian Institute of Technology, Kharagpur, India.

Shubin Liu (S)

Research Computing Centre, University of North Carolina, Chapel Hill, NC, United States.

Classifications MeSH