Publikace detail

Effect of Intermolecular Forces on Some Properties of Explosives, II. Influence of Non-covalent Hydrogen Bond

Autoři: Vávra Pavel | Pospíšil Miroslav

Rok: 2003

Druh publikace: článek ve sborníku

Název zdroje: Proceedings of 6th international Seminar "New Trends in Research of Energetic Materials"

Název nakladatele: Univerzita Pardubice

Místo vydání: Pardubice

Strana od-do: 473-481

Tituly:

Jazyk	Název	Abstrakt	Klíčová slova
cze	Effect of Intermolecular Forces on Some Properties of Explosives, II. Influence of Non-covalent Hydrogen Bond	On the basis of known structural data, the values of total energy of crystals have been calculated for a selected set of explosives, and their non-negligible effect on sensitivity parameters, melting temperatures and densities has been found. The presence of non-covalent hydrogen bonds and/or van der Waals forces in crystalline individual explosives distinctly lowers the impact sensitivity, increases their melting temperatures and contributes?together with other factors?to their enhanced density. Possibility of prediction of these parameters for proposed structures of new explosives is discussed.	intermolekulární síly;brizantní trhaviny;HE;
eng	Effect of Intermolecular Forces on Some Properties of Explosives, II. Influence of Non-covalent Hydrogen Bond	On the basis of known structural data, the values of total energy of crystals have been calculated for a selected set of explosives, and their non-negligible effect on sensitivity parameters, melting temperatures and densities has been found. The presence of non-covalent hydrogen bonds and/or van der Waals forces in crystalline individual explosives distinctly lowers the impact sensitivity, increases their melting temperatures and contributes?together with other factors?to their enhanced density. Possibility of prediction of these parameters for proposed structures of new explosives is discussed.	intermolecular forces;calculations;high explosives;HE;hydrogen bond; properties of molecules

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