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Volumn 52, Issue 5, 2012, Pages 452-460

Charge migration in organic materials: Can propagating charges affect the key physical quantities controlling their motion?

Author keywords

charge transfer; conducting materials; density functional calculations; molecular dynamics; molecular electronics; nanotechnology

Indexed keywords


EID: 84861034036     PISSN: 00212148     EISSN: 18695868     Source Type: Journal    
DOI: 10.1002/ijch.201100092     Document Type: Article
Times cited : (15)

References (53)
  • 2
    • 84861042686 scopus 로고    scopus 로고
    • Technology Focus: Organic Photonics, Nat. Photonics 2009, 3
    • Technology Focus: Organic Photonics, Nat. Photonics 2009, 3.
  • 44
    • 79952943559 scopus 로고    scopus 로고
    • The stack spacing has been computed without inclusion of dispersion corrections. As it is shown, for example, in, for basic geometric properties the standard PBE functional does provide reliable results when compared with DFT including dispersion interactions
    • The stack spacing has been computed without inclusion of dispersion corrections. As it is shown, for example, in, S. Grimme, S. Ehrlich, L. Goerigk, J. Comput. Chem. 2011, 32, 1456-1465, for basic geometric properties the standard PBE functional does provide reliable results when compared with DFT including dispersion interactions.
    • (2011) J. Comput. Chem. , vol.32 , pp. 1456-1465
    • Grimme, S.1    Ehrlich, S.2    Goerigk, L.3
  • 53
    • 84861042688 scopus 로고    scopus 로고
    • Ph. D. Thesis, Delft Univ. Press
    • A. M. van de Craats, Ph. D. Thesis, Delft Univ. Press, 2000.
    • (2000)
    • Craats De Van, A.M.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.