A Combined Experimental and Theoretical
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Angelika Häußler; Thomas M. Klapötke; Gerhard Holl; Manfred Kaiser
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Article
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2002
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John Wiley and Sons
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English
⚖ 136 KB
👁 2 views
The structures of aand b-HMX were fully optimized and the vibrational frequencies computed at the hybrid DFT B3LYP/6-31G(d, p) level of theory. The DCI mass spectrum of HMX using ammonia (NH 3 ) as a ™soft∫ ionising gas is reported. Field desorption mass spectrometry (FD) was used because of the hig