Abstract
By utilizing the classical turning point of the electron movement, we have defined and computed the molecular intrinsic characteristic contour (MICC) via the combination of theab initio quantum chemistry computational method with the ionization potential measured by photoelectron spectroscopy experiment. In this paper, we calculated the MICCs of several small organic molecules containing oxygen atom for the first time. The three-dimensional pictures have been drawn, by performing a large number of calculations. The analysis on some characterized cross-sections of the MICC can provide atomic spatial changing information in the process of forming a molecule.
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 callDisclaimer: 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.
