Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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1 |
Material Type: Dataset
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Chemical Shifts in Molecular Solids by Machine Learning DatasetsCeriotti, Michele ; Emsley, Lyndon ; Paruzzo, Federico ; Hofstetter, Albert ; Musil, Félix ; De, Sandip ; Engel, Edgar A. ; Anelli, AndreaMaterials Cloud 2019Texto completo disponível |
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2 |
Material Type: Dataset
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Chemical Shifts in Molecular Solids by Machine Learning DatasetsParuzzo, Federico ; Hofstetter, Albert ; Musil, Félix ; Ceriotti, Michele ; Emsley, Lyndon ; De, SandipMaterials Cloud 2019Texto completo disponível |
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3 |
Material Type: Dataset
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Quantum-classical mechanics: Luminescence spectra in polymethine dyes and J-aggregates. Nature of the small Stokes shift, Results in Physics (Elsevier) 2019Egorov, VladimirMendeley 2019Texto completo disponível |
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4 |
Material Type: Dataset
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Quantum-classical mechanics: Luminescence spectra in polymethine dyes and J-aggregates. Nature of the small Stokes shift, Results in Physics (Elsevier) 2019Egorov, VladimirMendeley 2019Texto completo disponível |
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5 |
Material Type: Dataset
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JuCLS database of core-level shifts from all-electron density functional theory simulations for chemical analysis of X-ray photoelectron spectraBröder, Jens ; Wortmann, Daniel ; Blügel, StefanMaterials Cloud 2020Texto completo disponível |
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6 |
Material Type: Dataset
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Proton and amide chemical shift list files of wild-type cAMP-dependent protein kinase a (PKA-C) and the chimeric mutant (PKA-JC) and MATLab scripts for the chemical shift analysisVeglia, Gianluigi ; Olivieri, Cristina ; Walker, Caitlin ; Veliparambil Subrahmanian, ManuData Repository for the University of Minnesota (DRUM) 2020Texto completo disponível |
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7 |
Material Type: Dataset
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D11.1- KTH transnational access success storyAnxer, Lilit (KTH-PDC) ; Laaksonen, Aatto (HPC-Europa3 Host) ; Aidas, Kęstutis (HPC-Europa3 Visitor) ; Lengvinaitė, Dovilė (HPC-Europa3 Visitor)https://b2share.eudat.eu 2020Texto completo disponível |
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8 |
Material Type: Dataset
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Complete dataset for the publication: The accuracy challenge of DFT-based molecular assignment of 13C MAS NMR characterization of surface intermediates in zeolite catalysisKolganov, Alexander ; Gabrienko, Anton ; Stepanov, Alexander G. ; Pidko, Evgeny4TU.ResearchData 2020Texto completo disponível |
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9 |
Material Type: Dataset
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Complete dataset for the publication: The accuracy challenge of DFT-based molecular assignment of 13C MAS NMR characterization of surface intermediates in zeolite catalysisKolganov, Alexander ; Gabrienko, Anton ; Stepanov, Alexander G. ; Pidko, Evgeny4TU.ResearchData 2020Texto completo disponível |
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10 |
Material Type: Dataset
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Neonatal Multiplanar Chemical Shift Imaging DataMerz, Emily ; Monk, Catherine ; Bansal, Ravi ; Sawardekar, Siddhant ; Peterson, BradleyG-Node 2020Texto completo disponível |