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Surface defects and their role in the shock sensitivity of cyclotrimethylene-trinitramine

✍ Scribed by Victor J. Bellitto; Mikhail I. Melnik

Book ID
104001766
Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
249 KB
Volume
256
Category
Article
ISSN
0169-4332

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Ab initio cluster mode] wavefunctions for bulk, surface and defect sites of crystalline MgO have been obtained in order to determine possible variations in the degree of ionicity in different physical environments. The degree of ionicity has been estimated from two different and complementary theore