The Way of Obtain C3H4O+ Fragments Laser-Induced by Cycloheptanone Ion Excited State

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Abstract:

Our theoretical study aims to the way of obtain C3H4O+ fragments laser-induced by Cycloheptanone ion (C7H12O+ ) excited state and gives out a result with proved and directed significance for the corresponding experiments. Using the CIS(Configuration Interaction with Single Substitute) method, calculated Cycloheptanone ion excited state structure and vibrational frequencies.

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Advanced Materials Research (Volumes 887-888)

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931-934

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February 2014

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© 2014 Trans Tech Publications Ltd. All Rights Reserved

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