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Volumn 128, Issue 16, 2008, Pages

Electronic structure of copper phthalocyanine: A comparative density functional theory study

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE; ERROR ANALYSIS; INTERFACES (MATERIALS); PHOTOEMISSION;

EID: 42949170910     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2898540     Document Type: Article
Times cited : (159)

References (43)
  • 1
    • 85014237542 scopus 로고    scopus 로고
    • The Porphyrin Handbook, edited by K. M. Kadish, K. M. Smith, and R. Guilard (Academic, San Diego), Vol..
    • The Porphyrin Handbook, edited by, K. M. Kadish, K. M. Smith, and, R. Guilard, (Academic, San Diego, 2003), Vol. 19.
    • (2003) , vol.19
  • 18
    • 42949108648 scopus 로고    scopus 로고
    • A Chemist's Guide to Density Functional Theory (Wiley-VCH, Weinheim).
    • W. Koch and M. C. Holthausen, A Chemist's Guide to Density Functional Theory (Wiley-VCH, Weinheim, 2001).
    • (2001)
    • Koch, W.1    Holthausen, M.C.2
  • 25
    • 42949084178 scopus 로고    scopus 로고
    • All calculations were performed using the GAUSSIAN suite of programs., Gaussian, Inc., Wallingford, CT,. Semilocal and hybrid functional calculations were performed using GAUSSIAN03, Revision C.01wis2, 2004. Calculations involving the HSE functional were performed using the GAUSSIAN development version, revision E.05, 2007.
    • All calculations were performed using the GAUSSIAN suite of programs. M. J. Frisch, G. W. Trucks, H. B. Schlegel, Gaussian, Inc., Wallingford, CT, 2003. Semilocal and hybrid functional calculations were performed using GAUSSIAN03, Revision C.01wis2, 2004. Calculations involving the HSE functional were performed using the GAUSSIAN development version, revision E.05, 2007.
    • (2003)
    • Frisch, M.J.1    Trucks, G.W.2    Schlegel, H.B.3
  • 30
    • 0001475454 scopus 로고    scopus 로고
    • 0021-9606 10.1063/1.478522, ();, J. Chem. Phys. 110, 5029 (1999).
    • C. Adamo and V. Barone, J. Chem. Phys. 0021-9606 10.1063/1.478522 110, 6158 (1999); M. Ernzerhof and G. E. Scuseria, J. Chem. Phys. 110, 5029 (1999).
    • (1999) J. Chem. Phys. , vol.110 , pp. 6158
    • Adamo, C.1    Barone, V.2    Ernzerhof, M.3    Scuseria, G.E.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.