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Calculating free energies of organic molecules on insulating substrates
The challenges and limitations in calculating free energies and entropies of adsorption and interaction of organic molecules on an insulating substrate are discussed. The adhesion of 1,3,5-tri(4'-cyano-[1,1'-biphenyl]-4-yl)benzene (TCB) and 1,4-bis(4-cyanophenyl)-2,5-bis(decyloxy)benzene (...
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| Publicat a: | Beilstein J Nanotechnol |
|---|---|
| Autors principals: | , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
Beilstein-Institut
2017
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5372712/ https://ncbi.nlm.nih.gov/pubmed/28462068 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3762/bjnano.8.71 |
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