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Chemical Shifts in Molecular Solids by Machine Learning Datasets
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Chemical Shifts in Molecular Solids by Machine Learning Datasets

Ceriotti, Michele ; Emsley, Lyndon ; Paruzzo, Federico ; Hofstetter, Albert ; Musil, Félix ; De, Sandip ; Engel, Edgar A. ; Anelli, Andrea

Materials Cloud 2019

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Chemical Shifts in Molecular Solids by Machine Learning Datasets
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Chemical Shifts in Molecular Solids by Machine Learning Datasets

Paruzzo, Federico ; Hofstetter, Albert ; Musil, Félix ; Ceriotti, Michele ; Emsley, Lyndon ; De, Sandip

Materials Cloud 2019

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3
Quantum-classical mechanics: Luminescence spectra in polymethine dyes and J-aggregates. Nature of the small Stokes shift, Results in Physics (Elsevier) 2019
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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) 2019

Egorov, Vladimir

Mendeley 2019

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4
Quantum-classical mechanics: Luminescence spectra in polymethine dyes and J-aggregates. Nature of the small Stokes shift, Results in Physics (Elsevier) 2019
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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) 2019

Egorov, Vladimir

Mendeley 2019

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5
JuCLS database of core-level shifts from all-electron density functional theory simulations for chemical analysis of X-ray photoelectron spectra
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JuCLS database of core-level shifts from all-electron density functional theory simulations for chemical analysis of X-ray photoelectron spectra

Bröder, Jens ; Wortmann, Daniel ; Blügel, Stefan

Materials Cloud 2020

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6
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 analysis
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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 analysis

Veglia, Gianluigi ; Olivieri, Cristina ; Walker, Caitlin ; Veliparambil Subrahmanian, Manu

Data Repository for the University of Minnesota (DRUM) 2020

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7
D11.1- KTH transnational access success story
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Dataset
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D11.1- KTH transnational access success story

Anxer, Lilit (KTH-PDC) ; Laaksonen, Aatto (HPC-Europa3 Host) ; Aidas, Kęstutis (HPC-Europa3 Visitor) ; Lengvinaitė, Dovilė (HPC-Europa3 Visitor)

https://b2share.eudat.eu 2020

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8
Complete dataset for the publication: The accuracy challenge of DFT-based molecular assignment of 13C MAS NMR characterization of surface intermediates in zeolite catalysis
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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 catalysis

Kolganov, Alexander ; Gabrienko, Anton ; Stepanov, Alexander G. ; Pidko, Evgeny

4TU.ResearchData 2020

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9
Complete dataset for the publication: The accuracy challenge of DFT-based molecular assignment of 13C MAS NMR characterization of surface intermediates in zeolite catalysis
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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 catalysis

Kolganov, Alexander ; Gabrienko, Anton ; Stepanov, Alexander G. ; Pidko, Evgeny

4TU.ResearchData 2020

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10
Neonatal Multiplanar Chemical Shift Imaging Data
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Dataset
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Neonatal Multiplanar Chemical Shift Imaging Data

Merz, Emily ; Monk, Catherine ; Bansal, Ravi ; Sawardekar, Siddhant ; Peterson, Bradley

G-Node 2020

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