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Physical Chemistry Chemical Physics
Volumn 16, Issue 9, 2014, Pages 3983-3994
On the inter-ring torsion potential of regioregular P3HT: A first principles reexamination with explicit side chains
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Indexed keywords

EID: 84893659339     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/c3cp54688h     Document Type: Article
Times cited : (28)
References (139)
  • 18
    • 0000102979 scopus 로고    scopus 로고
    • Field-Effect Transistors Based on Conjugated Materials
    • in, ed. K. Müllen and G. Wegner, Wiley-VCH, Weinheim
    • F. Garnier, Field-Effect Transistors Based on Conjugated Materials, in Electronic Materials: The Oligomer Approach, ed., K. Müllen, and, G. Wegner, Wiley-VCH, Weinheim, 1998
    • (1998) Electronic Materials: The Oligomer Approach
    • Garnier, F.1
  • 83
    • 36549098398 scopus 로고
    • The actual size limits for a 'small', 'medium' or 'large' system are rather difficult to define. The functional forms commonly used to describe molecular mechanics potentials are relatively simple, and only depend on the position of the nuclei, which is known at every iteration. Each contribution can thus be computed independently, and, provided enough computational resources, even simultaneously. Molecular mechanics simulations benefit greatly from any level of parallelization, so that terms such as 'small system' and 'large system', on top of changing their meaning in time due to hardware technological advances, also depend on the amount of computational resources available
    • G. E. Scuseria C. L. Janssen H. F. Schaefer III J. Chem. Phys. 1988 89 7382 7387
    • (1988) J. Chem. Phys. , vol.89 , pp. 7382-7387
    • Scuseria, G.E.1    Janssen, C.L.2    Schaefer III, H.F.3

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.