Abstract
Single reference electron correlated optimizations were carried out for linear phosphaethyne (HCP) and isophosphaethyne (HPC) in order to determine whether HPC is a species capable of existence. It was found that HPC is a potential energy minimum at the RMP2, RMP4, UMP2, UMP3 and UMP4 levels of theory but a potential energy maximum at RMP3. However, at the more reliable quadratic CI and Brueckner doubles levels of theory, HPC is found to be a potential energy maximum.
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 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.
