메뉴 건너뛰기




Volumn 112, Issue 2, 2008, Pages 332-335

Electronic ground state of higher acenes

Author keywords

[No Author keywords available]

Indexed keywords

ACENES; GRAPHENE; SPIN-DOWN ELECTRONS;

EID: 38749108120     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0765087     Document Type: Article
Times cited : (233)

References (61)
  • 21
    • 0003913040 scopus 로고
    • Academic Press: London, Vols, and 2
    • Ciar, E. Polycyclic Hydrocarbons; Academic Press: London, 1964; Vols. 1 and 2.
    • (1964) Polycyclic Hydrocarbons , vol.1
    • Ciar, E.1
  • 23
    • 38749113057 scopus 로고    scopus 로고
    • We note that polyacene, acene, and oligoacene are often used exchangeably in the literature. In this paper, we use polyacene to mean the infinite polymer, consisting of linearly fused benzene rings
    • We note that polyacene, acene, and oligoacene are often used exchangeably in the literature. In this paper, we use polyacene to mean the infinite polymer, consisting of linearly fused benzene rings.
  • 56
    • 38749130565 scopus 로고    scopus 로고
    • The AFM state in our calculations of molecules using a supercell spin-polarized DFT approach corresponds to an unrestricted open-shell singlet state in a molecular orbital calculation with a cluster model
    • The AFM state in our calculations of molecules using a supercell spin-polarized DFT approach corresponds to an unrestricted open-shell singlet state in a molecular orbital calculation with a cluster model.
  • 57
    • 38749093054 scopus 로고    scopus 로고
    • The NM state in our calculations of molecules using a supercell DFT approach corresponds to a restricted closed-shell state in a molecular orbital calculation with a cluster model
    • The NM state in our calculations of molecules using a supercell DFT approach corresponds to a restricted closed-shell state in a molecular orbital calculation with a cluster model.
  • 58
    • 38749132074 scopus 로고    scopus 로고
    • Here we use the term ferromagnetic in a rather loose sense, just to indicate that the spins at the two edges are all up. Strictly speaking, this phase should be called ferrimagnetic because some of the carbon atoms between the two edges are spin-down.
    • Here we use the term "ferromagnetic" in a rather loose sense, just to indicate that the spins at the two edges are all up. Strictly speaking, this phase should be called ferrimagnetic because some of the carbon atoms between the two edges are spin-down.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.