H13CN/HN13C linelist

B2FIND2026-04-04 收录

分子光谱学

同位素取代

数据链接：

https://b2find.eudat.eu/dataset/cca3dd3d-2ebc-596e-891c-33d68c76ae43 数据链接链接失效反馈

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A linelist of vibration-rotation transitions for ^13^C substituted HCN is presented. The line list is constructed using known experimental levels where available, calculated...

Mapping the protonation states of the histidine brace in an AA10 lytic polysaccharide monooxygenase using CW-EPR spectroscopy and DFT calculations

生物化学

分子光谱学

EPR data for "Mapping the protonation states of the histidine brace in an AA10 lytic polysaccharide monooxygenase using CW-EPR spectroscopy and DFT calculations"

DataCite Commons2022-10-26 更新50

High-Resolution Infrared and Electron-Diffraction Studies of Trimethylenecyclopropane ([3]-Radialene)

分子光谱学

化学键分析

Combined high-resolution spectroscopic, electron-diffraction, and quantum theoretical methods are particularly advantageous for small molecules of high symmetry and can yield accurate structures that

NIAID Data Ecosystem20

From PECs to Spectrum and From Spectrum to PECs: A Morse Protocol for Diatomic X‑ray Absorption

分子光谱学

势能曲线反演

A central pursuit in molecular science is to bridge molecular potential energy surfaces (PESs) with spectroscopic observables, both predicting spectra from potentials and inferring potentials from spe

Figshare2026-02-12 更新10

Methyl Formate (HCOOCH) - ShockGas-IR

分子光谱学

高温高压化学诊断

Methyl formate absorption cross-section measurements Wavenumber Range [1/cm]: 1660- 1875 Wavelength Range [μm]: 5.3 - 6.0 Temperature Range [K]: 293- 982 Pressure Range [atm]: 1 - 35

DataCite Commons2025-07-07 更新50

Franck-Condon factors (bound-bound) between 3He-4He+ and 3He-4He++

分子光谱学

量子化学

Franck-Condon factors and eigenvalues for bound to bound transitions between the helium molecular ion and the helium molecular dication for the case of 3He-4He+ (ion) and 3He-4He++ (dication). Redu

DataCite Commons2020-09-04 更新20

H13CN/HN13C linelist

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