Abstract
The torsional potential of HCOH is analyzed with the gaussian-2 (G2), quadratic complete basis set (CBS-Q) and the DFT-B3LYP/CBS-Q (CBS-QB3) method. In agreement with purely intuitive arguments it was determined that the cis to trans barrier is around 4.4 kcal mol −1. In addition the stability of rotation as a function of competing dissociation pathways is discussed.
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.
