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The following pages contain some background information on CREST, sampling of the low-energy space, and application of semiempirical quantum mechanical methods.

Table of contents

  • Context Information - Some general information about chemical space, conformers, etc.
  • Workflows - Information about workflows implemented in CREST.

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Copyright © 2022-2024 Philipp Pracht.

CREST is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more details.