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Volumn 125, Issue 3-6, 2010, Pages 445-451

Density functional calculations of potential energy surface and charge transfer integrals in molecular triphenylene derivative HAT6

Author keywords

Charge transfer integrals; Columnar stacked HAT6; Density functional theory; Organic photocells; Potential energy surface

Indexed keywords


EID: 77949269596     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-009-0559-3     Document Type: Article
Times cited : (8)

References (48)
  • 32
    • 0004066445 scopus 로고    scopus 로고
    • ADF, Amsterdam density functional program, Vrije Universiteit, Amsterdam
    • ADF, Amsterdam density functional program (2006) Theoretical chemistry. Vrije Universiteit, Amsterdam. http://www. scm. com.
    • (2006) Theoretical Chemistry


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.