Abstract

Molecular mechanics MM2′ parameters related to the C( sp 2)C(arom) bond in styrene have been refined to reproduce the experimental structure and rotational barrier height of styrene. Molecular structures of styrene and stilbene derivatives are calculated using these refined parameters. These parameters well reproduce experimental data of twist angles of styrene and stilbene derivatives.

Full Text
Paper version not known

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 call

Disclaimer: 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.