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Volumn 7, Issue 9, 2006, Pages 2003-2007

Toward the rational design of functionalized pentacenes: Reduction of the impact of functionalization on the reorganization energy

Author keywords

Crystal engineering; Density functional calculations; Organic field effect transistors; Pentacene; Reorganization energy

Indexed keywords

CRYSTAL ATOMIC STRUCTURE; CRYSTAL ENGINEERING; DENSITY FUNCTIONAL THEORY; MOLECULAR ORBITALS;

EID: 33748926106     PISSN: 14394235     EISSN: 14397641     Source Type: Journal    
DOI: 10.1002/cphc.200600266     Document Type: Article
Times cited : (92)

References (43)
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    • N. Karl, Synth. Met. 2003, 133-134, 649.
    • (2003) Synth. Met. , vol.133-134 , pp. 649
    • Karl, N.1
  • 34
    • 33748921308 scopus 로고    scopus 로고
    • note
    • Two functionalized pentacene species with six N atoms and one functionalized pentacene species with four N atoms are also calculated. The values of λ, EA, and IP are much closer to those of the 5N-PENT molecules than to those of the 10N-PENT ones.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.