Dataset For "A Qm-Camd Approach To Solvent Design For Optimal Reaction Rates"
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Dataset accompanying "A QM-CAMD approach to solvent design for optimal reaction rates". All Gaussian09 files for Step 2 of the proposed QM-CAMD algorithm Sample GAMS file for Step 4 Excel spreadsheet containing a summary of results for all 3 case studies
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Zenodo创建时间：
2017-03-09
