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The impact of polarization on vibration properties for H-bonded dimers

Mendeley Data2026-04-09 收录

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氢键相互作用

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The original data for manuscript "The impact of polarization on vibration properties for H-bonded dimers"

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多铁性材料

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Organic multiferroics are important functional materials because of their potential applications as a material to address global challenges. These inexpensive, flexible, lightweight and nontoxic mater

DataCite Commons2020-09-17 更新70

Transient vibrational spectroscopy of thiouracils

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硫尿嘧啶光化学

Transient vibrational spectroscopy of solutions of 2-thiouracil and 4-thiouracil. Experimental data are associated with the ERC Advanced Grant project CAPRI (PI Prof A.J. Orr-Ewing).

DataCite Commons2020-09-18 更新60

Dataset for the publication: "The methyl torsion in unsaturated compounds" published in ACS Omega (2019) by Zachariou et al.

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量子化学计算

This dataset contains the information (both experimental and computational) that was the basis of the paper: "The methyl torsion in unsaturated compounds" which was published in ACS Omega (2019). The

DataCite Commons2026-02-13 更新30

C6 MP3/Def2-TZVPP Kekule mode = 923 cm-1

量子化学计算

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Gaussian Calculation

DataCite Commons2020-07-29 更新70

Experimental and Theoretical Study of the Vibrational Spectra of Oligoureas: Helical versus β-Sheet-Type Secondary Structures

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生物高分子二级结构

Ab initio calculations of two oligoureas stabilized in helix and sheet organization have been performed. The hydrogen bond distances were found to be almost the same for both structures. The vibration

NIAID Data Ecosystem40

The impact of polarization on vibration properties for H-bonded dimers

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