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Computational Chemistry Software for CRAY X-MP/2.

Please always quote using this URN: urn:nbn:de:0297-zib-4816
  • The following report intends to provide a survey over the computational chemistry molecular structure software installed on CRAY X-MP/24 at ZIB. It shows what kind of problems can be tackled with the existing chemistry software, which covers a wide range of ab initio, semiempirical, molecular mechanics, and dynamics applications.

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Metadaten
Author:Klaus Schöffel
Document Type:ZIB-Report
Date of first Publication:1991/06/05
Series (Serial Number):ZIB-Report (TR-91-06)
ZIB-Reportnumber:TR-91-06
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