About: Calculated crystal structure of 4,4''-dinitro-3,3''- diazenofuroxan     Goto   Sponge   NotDistinct   Permalink

An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

AttributesValues
rdf:type
Description
  • Crystal structure of 4,4'-dinitro-3,3'-diazenofuroxan (DNDAF) was solved by molecular simulation methods to predict their possible crystal structure and properties. The calculated crystal structures were compared with experimentally determined crystal structure 4,4'-dinitroazofurazan (DNAF). Prediction of DNDAF crystal structure was solved by direct calculation of DNDAF crystal structure on the base of modified molecular strategies developed previously for 4,8,10,12-tetranitro-2,6-dioxa-4,8,10,12-tetraazatetracyclo [5.5.0.03,11.05.9]dodecane (TNIW). These basic properties were compared: total crystal energy for calculated DNDAF and for experimental and modified DNAF, description of space group, arrangement of individual molecules in the different crystal groups. Calculations were done with Cerius2 and Material Studio modelling environment with using modules allowing crystal structure prediction.
  • Crystal structure of 4,4'-dinitro-3,3'-diazenofuroxan (DNDAF) was solved by molecular simulation methods to predict their possible crystal structure and properties. The calculated crystal structures were compared with experimentally determined crystal structure 4,4'-dinitroazofurazan (DNAF). Prediction of DNDAF crystal structure was solved by direct calculation of DNDAF crystal structure on the base of modified molecular strategies developed previously for 4,8,10,12-tetranitro-2,6-dioxa-4,8,10,12-tetraazatetracyclo [5.5.0.03,11.05.9]dodecane (TNIW). These basic properties were compared: total crystal energy for calculated DNDAF and for experimental and modified DNAF, description of space group, arrangement of individual molecules in the different crystal groups. Calculations were done with Cerius2 and Material Studio modelling environment with using modules allowing crystal structure prediction. (en)
Title
  • Calculated crystal structure of 4,4''-dinitro-3,3''- diazenofuroxan
  • Calculated crystal structure of 4,4''-dinitro-3,3''- diazenofuroxan (en)
skos:prefLabel
  • Calculated crystal structure of 4,4''-dinitro-3,3''- diazenofuroxan
  • Calculated crystal structure of 4,4''-dinitro-3,3''- diazenofuroxan (en)
skos:notation
  • RIV/00216208:11320/11:10089992!RIV12-MSM-11320___
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • Z(MSM0021620835)
http://linked.open...vai/riv/dodaniDat
http://linked.open...aciTvurceVysledku
http://linked.open.../riv/druhVysledku
http://linked.open...iv/duvernostUdaju
http://linked.open...titaPredkladatele
http://linked.open...dnocenehoVysledku
  • 189003
http://linked.open...ai/riv/idVysledku
  • RIV/00216208:11320/11:10089992
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • crystal structure; 4,4'-dinitro-3,3'-diazenofuroxan; molecular simulations; explosives (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...ontrolniKodProRIV
  • [39E0514135C8]
http://linked.open...v/mistoKonaniAkce
  • Pardubice
http://linked.open...i/riv/mistoVydani
  • Pardubice
http://linked.open...i/riv/nazevZdroje
  • NTREM`11 Proceedings of the 14th Seminar „New Trends in Research of Energetic Materials“
http://linked.open...in/vavai/riv/obor
http://linked.open...ichTvurcuVysledku
http://linked.open...cetTvurcuVysledku
http://linked.open...UplatneniVysledku
http://linked.open...iv/tvurceVysledku
  • Pospíšil, Miroslav
  • Vávra, Pavel
http://linked.open...vavai/riv/typAkce
http://linked.open.../riv/zahajeniAkce
http://linked.open...n/vavai/riv/zamer
number of pages
http://purl.org/ne...btex#hasPublisher
  • Univerzita Pardubice
https://schema.org/isbn
  • 978-80-7395-390-4
http://localhost/t...ganizacniJednotka
  • 11320
Faceted Search & Find service v1.16.118 as of Jun 21 2024


Alternative Linked Data Documents: ODE     Content Formats:   [cxml] [csv]     RDF   [text] [turtle] [ld+json] [rdf+json] [rdf+xml]     ODATA   [atom+xml] [odata+json]     Microdata   [microdata+json] [html]    About   
This material is Open Knowledge   W3C Semantic Web Technology [RDF Data] Valid XHTML + RDFa
OpenLink Virtuoso version 07.20.3240 as of Jun 21 2024, on Linux (x86_64-pc-linux-gnu), Single-Server Edition (126 GB total memory, 58 GB memory in use)
Data on this page belongs to its respective rights holders.
Virtuoso Faceted Browser Copyright © 2009-2024 OpenLink Software