CCL: Methods and basis sets comparison



Check papers by Alfred Karpfen with various co-authors. The Web of
 Science is a good starting point.
 --
 Miklos Kertesz
 Professor of Chemistry
 Georgetown University
 606 Reiss
 Washington DC 20057-1227
 Office: 202-687-5761
 Fax:  202-687-6209
 Email: kertesz,georgetown.edu
 http://www.georgetown.edu/departments/chemistry/faculty/kertesz.htm
 Pablo Echenique pnique..unizar.es wrote:
 > Sent to CCL by: "Pablo  Echenique" [pnique(a)unizar.es]
 > Hello all,
 >
 > I am planning to carry out an extensive computational study of the accuracy
 of different methods (HF, MP2 and B3LYP) and different basis sets in the
 description of the conformational properties of small flexible peptides. I would
 thank very much any one that could suggest me references in which methods and
 basis sets are extensively compared (even if it is done on different molecules,
 i.e., which are not peptides).
 >
 > Thank you very much in advance,
 >
 >  Pablo Echenique
 >
 > ------------------------------------
 >   Pablo Echenique Robba
 >
 >   Departamento de Fisica Teorica
 >                 &
 >   Instituto de Biocomputacion y
 >   Fisica de los Sistemas Complejos
 >   BIFI
 >
 >   Universidad de Zaragoza
 >   50009 Zaragoza
 >   Spain
 >
 >   Tel.:    +34 976761260
 >   E-mail:  pnique[#]unizar.es
 > ------------------------------------>
 >
 >
 
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