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Effect of Intermolecular Forces on Some Properties of Explosives, II. Influence of Non-covalent Hydrogen Bond
Authors: Vávra Pavel | Pospíšil Miroslav
Year: 2003
Type of publication: článek ve sborníku
Name of source: Proceedings of 6th international Seminar "New Trends in Research of Energetic Materials"
Publisher name: Univerzita Pardubice
Place: Pardubice
Page from-to: 473-481
Titles:
Language Name Abstract Keywords
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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