𝔖 Bobbio Scriptorium
✦   LIBER   ✦

MOLCAS: a program package for computational chemistry

✍ Scribed by Gunnar Karlström; Roland Lindh; Per-Åke Malmqvist; Björn O Roos; Ulf Ryde; Valera Veryazov; Per-Olof Widmark; Maurizio Cossi; Bernd Schimmelpfennig; Pavel Neogrady; Luis Seijo


Book ID
117626909
Publisher
Elsevier Science
Year
2003
Tongue
English
Weight
337 KB
Volume
28
Category
Article
ISSN
0927-0256

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


cclib: A library for package-independent
✍ Noel M. O'boyle; Adam L. Tenderholt; Karol M. Langner 📂 Article 📅 2008 🏛 John Wiley and Sons 🌐 English ⚖ 158 KB

## Abstract There are now a wide variety of packages for electronic structure calculations, each of which differs in the algorithms implemented and the output format. Many computational chemistry algorithms are only available to users of a particular package despite being generally applicable to th

A computer program package for relative
✍ Timo Hakulinen; Kamal H. Abeywickrama 📂 Article 📅 1985 🏛 Elsevier Science ⚖ 743 KB

A computer program package has been constructed for use in patient survival analyses for chronic diseases based on aggregated data. The central concept of the analyses -the relative survival rate -is the ratio of the observed survival rate of the patients to the survival rate expected in a group in