General procedure of gauge fixing based on BRS invariance principle

Unique description of chemical structure

Unique description of chemical structures based on hierarchically ordered extended connectivities (HOC procedures). VIII. General principles for computer implementation

✍ Nikolai Ralev; Stoyan Karabunarliev; Ovanes Mekenyan; Danail Bonchev; Alexandru 📂 Article 📅 1985 🏛 John Wiley and Sons 🌐 English ⚖ 327 KB

The computer implementation of the HOC procedures presented in Parts I, I1 and I11 of this series is based on the module principle. It contains a main program and seventeen subroutines in Fortran IV. The system is able to provide unique atom numbering and code for all kinds of chemical compounds in