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H216O partition function
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2025-07-10
相关数据集
Supplementary material
Spectroscopic constants and assigned transitions
DataCite Commons2024-09-04 更新100
Replication Data for: A Computational Protocol for VCD spectra of Cyclic Pept...
This dataset contains output files for a conformational search (CREST 2.8), optimized geometries, frequencies and Vibrational Circular Dichroism (VCD) properties (Gaussian 16...
B2FIND30
Electronic Structure, Vibrational Spectra, and Spin-Crossover Properties of Vacuum-Evaporable Iron(II) Bis(dihydrobis(pyrazolyl)borate) Complexes with Diimine Coligands. Origin of Giant Raman Features
The vibrational properties of spin-crossover complexes [Fe(H2B(pz)2)2(L)] (pz = pyrazole) containing L = 2,2′-bipyridine (bipy) and 1,10-phenanthroline (phen) ligands are investigated by temperature
Figshare2019-09-16 更新20
Supplementary Table 2
The experimental positions of the V-type transitions together with line positions, line intensities, upper state vibrational assignments and counting numbers (when available) from the effective Hamilt
DataCite Commons2024-09-30 更新90
The MoLLIST dataset for 48Ti1H
The dataset is an archive of ExoMol page, https://exomol.com/data/molecules/TiH/48Ti-1H/MoLLIST. Please check the reference details according to the following description or directly from the webs
Zenodo2016-07-26 更新20
