{"product_id":"molecular-modeling-of-the-sensitivities-of-energetic-materials-paperback-9780128229712","title":"Molecular Modeling of the Sensitivities of Energetic Materials (Paperback) 9780128229712","description":"\u003cfont face=\"Georgia\"\u003e\r\n\u003cp\u003e\u003cfont size=\"6\"\u003eMolecular Modeling of the Sensitivities of Energetic Materials\u003c\/font\u003e\u003cbr\u003e\r\n\r\n\r\n\u003c\/p\u003e\n\u003cp\u003e\u003cem\u003eProvides an authoritative guide to the latest techniques for modeling and assessing sensitivities of energetic materials\u003c\/em\u003e\u003c\/p\u003e\r\n\r\n\r\n\u003cp\u003e\u003cfont size=\"4\"\u003eDidier Mathieu (Edited by)\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003e9780128229712\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003ePaperback, published 5 April 2022\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003e486 pages\u003cbr\u003e23.5 x 19 x 3 cm, 1 kg\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\r\n\r\n\r\n\r\n\u003cp align=\"justify\"\u003e\u003cstrong\u003e\u003cfont size=\"3\"\u003eApprox.472 pages\u003c\/font\u003e\u003c\/strong\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003e\u003cp\u003e\u003cb\u003ePart I. Experimental aspects \u003c\/b\u003e1. Overview of energetic materials 2. Characterizing responses to insults from energetic materials\u003c\/p\u003e \u003cb\u003e \u003c\/b\u003e\u003cp\u003ePart II. Relationships with molecular structure 3. Relationships with oxygen balance and bond dissociation energies 4. Relationships based on molecular charge distribution 5. Evaluation of sensitivities based on density functional calculations 6. General Quantitative Structure-Property Relationships 7. Thermal initiation and propagation of the decomposition process\u003c\/p\u003e\n\u003ci\u003e \u003c\/i\u003e\u003cb\u003e \u003c\/b\u003e\u003cp\u003ePart III. Relationships involving the crystal structure 8. Combined influence of molecular and crystal factors 9. Interplay between chemical and mechanical factors 10. From lattice vibrations to molecular dissociation 11. Role of electronically excited states\u003c\/p\u003e\n\u003ci\u003e \u003c\/i\u003e\u003cb\u003e \u003c\/b\u003e\u003cp\u003ePart IV. Insight from numerical simulations 12. Molecular Modeling of the Sensitivities of Energetic Materials 13. Quantum chemical investigations of reaction mechanisms 14. Correlation between chemical rates and sensitivity 15. Chemical kinetic modeling\u003c\/p\u003e\n\u003cb\u003e \u003c\/b\u003e\u003cp\u003ePart V. Applications to the design of new materials 16. Implementation of predictive models: practical aspects 17. Accounting for sensitivity in the design of energetic materials\u003c\/p\u003e\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003eSubject Areas: Physical chemistry [\u003ca title=\"See our other books on Physical chemistry\" href=\"https:\/\/freshlyprintedbooks.co.uk\/search?q=%22Physical%20chemistry%20%5BPNR%5D%22\"\u003ePNR\u003c\/a\u003e]\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\r\n\u003c\/font\u003e","brand":"Freshly Printed Books","offers":[{"title":"Default Title","offer_id":46650296566040,"sku":"9780128229712","price":143.79,"currency_code":"GBP","in_stock":false}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0730\/2037\/5320\/products\/9780128229712.jpg?v=1694107321","url":"https:\/\/freshlyprintedbooks.co.uk\/products\/molecular-modeling-of-the-sensitivities-of-energetic-materials-paperback-9780128229712","provider":"Freshly Printed Books","version":"1.0","type":"link"}