TS1 for cis ring fusion for reaction reported in 10.1021/acs.joc.5b01641
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资源简介：
Gaussian Calculation, b3lyp/def2tzvpp/scrf=(cpcm,solvent=dichloromethane) empiricaldispersion=gd3bj method. Sum of electronic and thermal Free Energies: -985.874609, ΔG<sup>‡</sup> 22.6 kcal/mol.
创建时间：
2016-05-05
