Toward Optimizing and Understanding Reversible Hyperpolarization of Lactate Esters Relayed from para-Hydrogen
收藏DataCite Commons2023-02-08 更新2025-04-16 收录
下载链接：
https://etsin.fairdata.fi/dataset/9ae732de-3e09-4e2f-b8c9-5b4c31a4e14d
下载链接
链接失效反馈官方服务：
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
提供机构：
Juha Vaara
创建时间：
2023-02-08
