Toward Optimizing and Understanding Reversible Hyperpolarization of Lactate Esters Relayed from para-Hydrogen
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资源简介：
1. Input and output files of quantum-chemical calculations of the geometries and J-couplings of lactate ester molecules. (CC BY 4.0) 2. Mathematica notebooks for coherent spin dynamics of one lactate ester. Both a complete calculation and the input file before calculation. (MIT license) Publication: https://doi.org/10.1021/acs.jpclett.2c01442
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Juha Vaara创建时间：
2023-02-08
