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Data for: A chalcogen-bonded complex (CH3)3N...S=C=O characterised by rotational spectroscopy

Mendeley Data2020-03-31 更新2026-04-09 收录

旋转光谱

硫属键合体系

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资源简介：

Fits of rotational spectra to give spectroscopic constants, as executed by using the program PGOPHER

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创建时间：

2020-03-31

旋转光谱

核超精细耦合分析

Raw experimental data of rotational transitions, quantumchemical calculation results, assignments, line lists and structural fits of hydrogen weakly bound to 2-fluorobenzaldehyde, 3-fluorobenzaldehyde

GRO.data2025-01-01 更新60

Rich Collection of n‑Propylamine and Isopropylamine Conformers: Rotational Fingerprints and State-of-the-Art Quantum Chemical Investigation

分子构象分析

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The conformational isomerism of isopropylamine and n-propylamine has been investigated by means of an integrated strategy combining high-level quantum-chemical calculations and high-resolution rotatio

Figshare2020-02-20 更新30

Large Amplitude Motions in 2,3-Dimethylfluorobenzene: Steric Effects Failing to Interpret Hindered Methyl Torsion

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受阻甲基扭转势垒

The microwave spectrum of 2,3-dimethylfluorobezene, one of the six isomers of dimethylfluorobenzene, was recorded using a pulsed molecular jet Fourier transform microwave spectrometer operating in the

NIAID Data Ecosystem20

Rotational frequencies of TiO isotopologues

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同位素光谱分析

Pure rotational spectra of the rare isotopologues of titanium oxide, ^46^TiO, ^47^TiO, ^49^TiO, and ^50^TiO, have been recorded using a combination of Fourier transform...

B2FIND40

Synchrotron Based FT-FIR Pure Rotational Spectroscopy of the NH2 Radical in Its Two Lowest Vibrational States

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分子量分析

Six Fourier-transform FIR spectra of the NH2 radical have been recorded at high resolution (0.001 cm–1) using synchrotron radiation on the AILES beamline at SOLEIL Synchrotron. Three different experim

Figshare2016-02-18 更新20

Data for: A chalcogen-bonded complex (CH3)3N...S=C=O characterised by rotational spectroscopy

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