Computational Screening of Nitrogen-Rich Energetic Salts Based on Substituted Triazine
- Author
- GHULE, Vikas D1
[1] Advanced Center for Research in High Energy Materials, University of Hyderabad, Hyderabad 500046, India - Source
Journal of physical chemistry. C. 2013, Vol 117, Num 33, pp 16840-16849, 10 p ; ref : 43 ref
- Publisher
- American Chemical Society, Columbus, OH
- Publication country
- United States
- Document type
- Article
- Language
- English
- Keyword (fr)
- Chaleur formation Composé ionique Dioxyde d'azote Détonation Effet écran Energie réticulaire Etude théorique Haute énergie Liaison hydrogène Motif structural Méthode fonctionnelle densité Structure électronique Tétrazole Vitesse 6540G 7115 7115M
- Keyword (en)
- Heat of formation Ionic compound Nitrogen dioxide Detonations Screening Lattice energy Theoretical study High energy Hydrogen bonds Structural unit Density functional method Electronic structure Tetrazoles Velocity
- Keyword (es)
- Compuesto iónico Nitrógeno dióxido Alta energía Motivo estructural
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B60 Condensed matter: structure, mechanical and thermal properties / 001B60E Thermal properties of condensed matter / 001B60E40 Thermal properties of crystalline solids / 001B60E40G Thermodynamic properties
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B70 Condensed matter: electronic structure, electrical, magnetic, and optical properties / 001B70A Electron states / 001B70A15 Methods of electronic structure calculations
- Discipline
- Physics of condensed state : electronic structure, electrical, magnetic and optical properties Physics of condensed state : structure, mechanical and thermal properties
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 27677514
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
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DOI
10.1021/jp405631c 
https://dx.doi.org/10.1021/jp405631c
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