Investigation of structural, electronic, and optical properties of the monoclinic and triclinic polymorphs of hexamethylenetetraminium 2,4-dinitrophenolate monohydrate (C6H13N4+.C6H3N2O5-.H2O) compound: A DFT approach

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23640%2F16%3A43928699" target="_blank" >RIV/49777513:23640/16:43928699 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1016/j.matchemphys.2015.12.063" target="_blank" >http://dx.doi.org/10.1016/j.matchemphys.2015.12.063</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.matchemphys.2015.12.063" target="_blank" >10.1016/j.matchemphys.2015.12.063</a>

Result language
angličtina
Original language name
Investigation of structural, electronic, and optical properties of the monoclinic and triclinic polymorphs of hexamethylenetetraminium 2,4-dinitrophenolate monohydrate (C6H13N4+.C6H3N2O5-.H2O) compound: A DFT approach
Original language description
We have investigated the structural, electronic and optical properties for two phases of polymorphs of hexamethylenetetraminium 2,4-dinitrophenolate monohydrate compound.
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BE - Theoretical physics
OECD FORD branch
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Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2016
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Result description