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Volumn 114, Issue 2, 2010, Pages 1041-1045

Substrate-mediated intermolecular hybridization in binary phthalocyanine superstructures

Author keywords

[No Author keywords available]

Indexed keywords

AG(111) SURFACE; CODEPOSITION; FIRST-PRINCIPLES; HIGH-DENSITY; INTERMOLECULAR INTERACTIONS; MOLECULAR LAYER; TAILORED SURFACES;

EID: 75449092014     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp908166j     Document Type: Article
Times cited : (15)

References (38)
  • 17
    • 75449087478 scopus 로고    scopus 로고
    • Quantum-ESPRESSO is a community project for high-quality quantum-simulation software, based on density functional theory and coordinated by Paolo Giannozzi
    • Quantum-ESPRESSO is a community project for high-quality quantum-simulation software, based on density functional theory and coordinated by Paolo Giannozzi. See: www.quantum-espresso.org.
  • 30
    • 75449090572 scopus 로고    scopus 로고
    • Here, the symmetry analysis of molecular orbitals confirms the identification of the ZnPc LUMO state in the STM (and DOS) images
    • The amount of Zn3d contribution to LUMO largely depends on the choice of the adopted XC functional. Different results are reported, for instance, in refs 28 and 32 or Ueno, L. T.; Machado, A. E. H.; Machado, F. B. C. J. Mol. Struct. (THEOCHEM) 2009, 899, 7178. Here, the symmetry analysis of molecular orbitals confirms the identification of the ZnPc LUMO state in the STM (and DOS) images.
    • (2009) J. Mol. Struct. (THEOCHEM) , vol.899 , pp. 7178
    • Ueno, L.T.1    MacHado, A.E.H.2    MacHado, F.B.C.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.