Reference data for isolated pyrrole
收藏DataCite Commons2025-04-28 更新2025-05-18 收录
下载链接：
https://amsacta.unibo.it/id/eprint/8327
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资源简介：
The dataset includes input and output files for the fitting of the rotational and vibrorotational transition lines related to the v=0,1,2 vibrational states of the NH out-of-plane bending motion of pyrrole in the gas phase using the SPFIT program of the CALPGM suite.
The following information is provided:
(i) fitting files for the normal species including pure rotational line transition of the ground and first excited vibrational state and vibrorotational bands of the fundamental, first overtone, and first hot band using the S-reduction and the Watson's III-l representation.
(ii) fitting files for the normal species including pure rotational line transition of the ground and first excited vibrational state and vibrorotational bands of the fundamental, first overtone, and first hot band using the Watson's S-reduction and the I-r representation.
(iii) fitting files for the rotational transition lines of the 13C2 isotopologue using the Watson's S-reduction and the III-l representation.
(iv) fitting files for the rotational transition lines of the 13C3 isotopologue using the Watson's S-reduction and the III-l representation.
提供机构：
University of Bologna
创建时间：
2025-04-28
