Abstract
The results of some quantumchemical calculations, performed by the use of the semi-empirical CND0/2 method, are compared with findings of the mass spectrometric investigations. The calculated charge distributions, force values and Wiberg indices, revealed useful informations on the properties and behaviour of the molecule in question and provided support for the suggested fragmentation pathway.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callMore From: International Journal of Mass Spectrometry and Ion Physics
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
