Chemical Markup Language

Peter Murray-Rust


Submit a MOPAC calculation whose input and output are managed through CML interfaces.


PM3
Hydrogen Peroxide
CML Example
H
O  1  1
O  1  1  111  1
H  1  1  111   1   111  1  3 2 1




Slide 5 © H. S. Rzepa, 1996.