Details of simulations: Theoretical Study of the Photoisomerization Mechanism of All-Trans-Retinyl Acetate
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资源简介：
Choice of active space in CASSCF calculations; investigation of the role of the one-bond-flip mechanism in the photoisomerization reaction of all-trans-RAc; XMS(6)-CASPT2/cc-pVDZ excited-state geometry of tEtEtEc-26DMDP; and molecular geometries in Cartesian coordinates.
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RepOD创建时间：
2023-03-21
