Abstract

The Macintosh program SWEET J solves equations of the Karplus type both numerically and graphically. Users of the program can change the coefficients to fit particular classes of chemical compounds. The Karplus−Altona equation is also implemented, which takes into account both the electronegativity and the orientation of the substituents on the fragment H−C−C−H. The program has many features which make it extremely easy to use: the fragment under observation is displayed in the Newman projection; the dihedral angle can be changed with the mouse; and the absolute configuration at stereogenic centers is ascertained by the computer. The executable program and its source code are available free.

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.