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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...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2019
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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 |