The Way Analysis of Obtain C4H5O+ Molecular Ions by the Ring of C7H12O+
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Using the CIS (Configuration Interaction with Single Substitute) method, we calculated structure of cycloheptanone ion excited state and frequency of vibration. Comparison can be seen from the table 3, the path formed by the debris path C lowest energy structure, so the stable structure of C4H5O+ fragmentation can be shown in path C. It is the parent ion 1C-7C, 4C-5C fracture formation, one of 9H and 10H migration. 11H and 12H migrated from 3C to 4C, formed C4H5O+ fragmentation. It mainly through the fifth excited state occur the dissociation process.
2014 ◽
Vol 540
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pp. 56-59
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2014 ◽
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pp. 931-934
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2012 ◽
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pp. 271-275
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2014 ◽
Vol 541-542
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pp. 250-252
2014 ◽
Vol 513-517
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