Abstract:<p>The exhaustive enumeration of 3D chemical
structures based on Z-matrix templates has recently been used in the quantum
chemical investigation of constitutional isomers, diastereomers and rotamers.
This simple yet powerful initial structure generation approach can apply beyond
the investigation of compounds of identical formula by quantum chemical
methods. This paper aims to provide a short description of the overall concept
followed by a practical tutorial to the approach. </p>
<p>· … Show more
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