Abstract
Abstract The CNDO/2 spd′ parametrizations of Kd, βc, ζs, and βs have been performed. Some of the valence and torsional angles of 1,2-ethanedithiol (CH2SH)2, 1,2-bis(methylthio)ethane (CH2SCH3)3, methanethiol, ethanethiol, (methylthio)methanethiol CH3SCH2SH, and bis(methylthio)methane CH3SCH2SCH3 have been optimized. In order to obtain further information on the rotational isomerism, CNDO/2 spd′ and sp calculations have been conducted for the molecules with variations in torsional angle.
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.
