Abstract
Anharmonic effects on the vibrational spectrum of the linear hydrogen-bonding species (HCN) n , n = 1,2,3, were calculated. Higher energy and dipole moment derivatives were obtained by means of one-dimensional Chebyshev polynomial fitting of the calculated ab initio points. Frequencies and intensities of overtones, rotational and vibration-rotation terms were calculated, generating additional information concerning the spectrum of these hydrogen-bonded complexes.
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.
