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Impact of dihydrogen bonding on lattice energies and sublimation enthalpies of crystalline [H(2)GaNH(2)](3), [H(2)BNH(2)](3) and [H(2)GeCH(2)](3)

The lattice energies of [H(2)GaNH(2)](3), [H(2)BNH(2)](3) and [H(2)GeCH(2)](3) in their experimentally determined space groups, P2(1)/m, Pmn2(1) and Pbcm, respectively, were calculated using density functional methods for periodic structures with the ab initio periodic code CRYSTAL17. Using the basi...

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Detalles Bibliográficos
Autores principales: Gladfelter, Wayne L., Cramer, Christopher J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9071838/
https://www.ncbi.nlm.nih.gov/pubmed/35528427
http://dx.doi.org/10.1039/c9ra07144j