QST2 calculation

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Revision as of 15:23, 17 January 2008 by 10.0.7.16 (talk) (New page: == Introduction == A QST2 job consist in providing two input structures, for instance two minimums on either side of the assumed TS structure, to the program. These two structures will the...)
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Introduction

A QST2 job consist in providing two input structures, for instance two minimums on either side of the assumed TS structure, to the program. These two structures will then guide the algorithm when searching for the TS

An input example