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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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| Publicado no: | Beilstein J Nanotechnol |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Beilstein-Institut
2017
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| Assuntos: | |
| Acesso em linha: | 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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