Abstract
Formulas for the first through third derivatives of torsional coordinates with respect to difference Cartesian coordinates are given. These formulas may also be used for out-of-plane bending coordinates. A sample calculation of an anharmonic potential function involving these coordinates has been made for ethylene and ethylene-d4. The procedure of anharmonicity calculation for polyatomic molecules is formulated by the use of matrix direct product notation and 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.
