Supplementary material raw data

Figshare2024-12-23 更新2026-04-28 收录

分子光谱学

气体实验数据

数据链接：

https://figshare.com/articles/dataset/Supplementary_material_raw_data/27988853 数据链接链接失效反馈

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资源简介：

Measured raw data (including CO-Tvib, CO-Trot, and pressure)

创建时间：

2024-12-23

ViBench: vibrational spectrum-to-structure benchmark

分子光谱学

分子结构预测

IntrocutionThis is an official dataset used to develop Vib2Mol. We have established a vi brational spectrum-to-structure bench mark (ViBench, VB), which consists of eight parts: VB-qm9, VB

DataCite Commons2025-05-07 更新160

Additional file 11 of Selecting lines for spectroscopic (re)measurements to improve the accuracy of absolute energies of rovibronic quantum states

分子光谱学

量子态能量

Additional file 11. 32SO2_1.10(− 6).txt: CSC output of the 32S16O2 molecule at the 1∗10−6 cm−1 uncertainty threshold.

DataCite Commons2021-09-17 更新60

Laboratory analysis of methylketene

分子光谱学

天体化学

VizieR online Data Catalogue associated with article published in journal Astronomy & Astrophysics with title 'The millimeter-wave spectrum of methyl ketene and its astronomical search.' (bibcode:

DataCite Commons2022-11-04 更新50

SpectrumWorld/multimodal-spectroscopic-seed-datasets-1000

分子光谱学

化学信息学

这是一个包含分子相关数据的化学数据集，其中包括分子索引、SMILES字符串、分子式以及红外光谱图、质量光谱图、氢核磁共振图像、碳核磁共振图像和HSQC图像等特征。数据集分为训练集，共有1000个示例。

Hugging Face2025-07-31 更新80

The MoLLIST dataset for 14N1H

分子光谱学

系外行星大气建模

The dataset is an archive of ExoMol page, https://exomol.com/data/molecules/NH/14N-1H/MoLLIST.Please check the reference details according to the following description or directly from the website. NB

NIAID Data Ecosystem50

Supplementary material raw data

资源简介：

相关数据集