Molecular modeling of alkyl monolayers on the Si(111) surface

Langmuir

Volumn 16, Issue 7, 2000, Pages 2987-2990

  Sieval, Alexander B ^a   Van Den Hout, Bram ^a   Zuilhof, Han ^a   Sudhölter, Ernst J R ^a  

^a WAGENINGEN UNIVERSITY   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

ELLIPSOMETRY; FOURIER TRANSFORM INFRARED SPECTROSCOPY; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MOLECULAR ORIENTATION; SILICON; X RAY SPECTROSCOPY;

ALKYL MONOLAYERS;

MONOLAYERS;

EID: 0033884390     PISSN: 07437463     EISSN: None     Source Type: Journal    
DOI: 10.1021/la991131k     Document Type: Article

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34. 3 in which the more advanced PCFF computations are preferable. Sieval, A. B.; Zuilhof, H.; Sudhölter, E. J. R. Manuscript in preparation.
35. The starting structures were multiplied by the same integer along the a and B axis. As the initial cell of structure 2 is twice the size of that of structure 1 (Figure 2), this always leads to boxes with twice as many alkyl chains in structure 2 than in structure 1.
36. Sieval, A. B.; Zuilhof, H.; Sudhölter, E. J. R. Unpublished results.