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Cyclohexadiene and Butatriene MCTDH/vMCG/TSH

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DataCite Commons2021-09-14 更新2025-04-17 收录
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The datasets contain the results from quantum dynamics simulations on cyclohexadiene and butatriene using both analytical potentials and direct dynamics. They were produced using the Quantics package and different methods : MCTDH, vMCG and TSH.<br>

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2021-09-14
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