𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Streamlining your business processes

✍ Scribed by Croxall, S.


Book ID
114441511
Publisher
The Institution of Electrical Engineers
Year
1995
Tongue
English
Weight
283 KB
Volume
5
Category
Article
ISSN
0960-7919

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## Abstract The PyFrag program (released as PyFrag2007.01) is a β€œwrap‐around” for the Amsterdam Density Functional (ADF) package and facilitates the extension of the fragment analysis method implemented in ADF along an entire potential energy surface. The purpose is to make analyses of reaction pat