Abstract
Conformational changes of perhydro-1,3,2-dioxazine in open single-walled carbon nanotubes have been studied by hybrid DFT PBE/3z method. It was established that relative stability of equatorial and axial chair conformers of encapsulated molecule has been inverted, the latter form becoming favorable. In this case the barrier of pyramidal inversion of nitrogen atom has been slightly de
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.
