SI_data.zip from Computational infrared and Raman spectra by hybrid QM/MM techniques: a study on molecular and catalytic material systems

Name: SI_data.zip from Computational infrared and Raman spectra by hybrid QM/MM techniques: a study on molecular and catalytic material systems
Creator: Abdul Nasir, Jamal; Guan, Jingcheng; Dutta, Gargi; Sen, Kakali; Beale, Andrew M.; Lu, You; Desmoutier, Alec W.; Yong, Chin; Sherwood, Paul; Logsdail, Andrew J.; Senn, Hans M.; Sokol, Alexey A.; Strange, Richard W.; Zhang, Xingfan; Keal, Thomas W.; Catlow, C. Richard A.; Hou, Qing
Published: 2023-04-26 00:00:00
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The Royal Society Figshare2023-04-26 更新2026-04-17 收录

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https://rs.figshare.com/articles/dataset/SI_data_zip_from_Computational_infrared_and_Raman_spectra_by_hybrid_QM_MM_techniques_a_study_on_molecular_and_catalytic_material_systems/22661543/1

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资源简介：

Data archive containing raw vibrational mode data

提供机构：

Abdul Nasir, Jamal; Guan, Jingcheng; Dutta, Gargi; Sen, Kakali; Beale, Andrew M.; Lu, You; Desmoutier, Alec W.; Yong, Chin; Sherwood, Paul; Logsdail, Andrew J.; Senn, Hans M.; Sokol, Alexey A.; Strange, Richard W.; Zhang, Xingfan; Keal, Thomas W.; Catlow, C. Richard A.; Hou, Qing

创建时间：

2023-04-19