Conformational data of 3-chloropropionic acid
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https://amsacta.unibo.it/id/eprint/7975
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资源简介：
The conformational space of 3-chloropropionic acid was explored using computational methods and the three obtained conformers have been optimized at b3lyp-d3(bj)/def2tzvp level of calculations and the minima have been verified by frequency calculations. The fits obtained through SPFIT/SPCAT for the rotational spectrum of the various conformers are reported. For each conformers have been observed the most abundant isomers and its chlorine-37 isotopologues in natural abundance.
提供机构：
University of Bologna
创建时间：
2024-11-08
