Size extensivity of elastic properties of alkane fragments

Using MP2, CCSD, and B3LYP methods of computational chemistry, we show length dependence in the intrinsic elastic properties of short alkane fragments. For isolated alkane fragments of finite length in the gas phase and zero temperature, the intrinsic elasticity constants are found to vary with the...

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Detalles Bibliográficos
Autores principales: Radiom, Milad, Maroni, Plinio, Wesolowski, Tomasz A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Berlin Heidelberg 2018
Materias:
Original Paper
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5758687/
https://www.ncbi.nlm.nih.gov/pubmed/29313112
http://dx.doi.org/10.1007/s00894-017-3572-9

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5758687/
https://www.ncbi.nlm.nih.gov/pubmed/29313112
http://dx.doi.org/10.1007/s00894-017-3572-9

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