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Car–Parrinello Molecular Dynamics Study of the Thermal Decomposition of Sodium Fulminate

✍ Scribed by Konstantina Damianos; Irmgard Frank

Publisher
John Wiley and Sons
Year
2010
Tongue
English
Weight
464 KB
Volume
16
Category
Article
ISSN
0947-6539

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## Abstract Fluoroform, as confirmed by both experimental and theoretical studies, can participate in improper H‐bond formation, which is characterized by a noticeable increase in the fundamental stretching frequency __ν__(CH) (so‐called blue frequency shift), an irregular change of its integral i