cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2p5ffr
title: CCDC 2477874: Experimental Crystal Structure Determination

description: Related Article: Yoshinori Yamanoi, Yongjin Zhao, Toyotaka Nakae, Kaito Segawa, Masaki Yoshida, Masako Kato, Kazuma Kikuchi, Hiroaki Imoto, Kensuke Naka, Showa Kitajima, Hitoshi Kasai, Kouki Oka, Suguru Ito|2025|Dalton Trans.|54|17425|doi:10.1039/d5dt01893e
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2pzt5p
title: CCDC 2502263: Experimental Crystal Structure Determination

description: Related Article: S.M. Purcell, E.W. Reinheimer, J.S. Ritch|2025|Acta Crystallogr.,Sect.C:Cryst.Struct.Chem.|81|718|doi:10.1107/S2053229625010101
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2pzt6q
title: CCDC 2502264: Experimental Crystal Structure Determination

description: Related Article: S.M. Purcell, E.W. Reinheimer, J.S. Ritch|2025|Acta Crystallogr.,Sect.C:Cryst.Struct.Chem.|81|718|doi:10.1107/S2053229625010101
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2pzt7r
title: CCDC 2502265: Experimental Crystal Structure Determination

description: Related Article: S.M. Purcell, E.W. Reinheimer, J.S. Ritch|2025|Acta Crystallogr.,Sect.C:Cryst.Struct.Chem.|81|718|doi:10.1107/S2053229625010101
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5164/iab.tha-bhp8923.de.en.v1
title: Daten der Treuhandanstalt verknüpft mit dem Betriebs-Historik-Panel des IAB (THA-BHP) 1989-2023
title: Data from the Treuhandanstalt (“Trust agency”) linked with the Establishment History Panel (BHP) of the IAB (THA-BHP) 1989-2023
title: THA-BHP 8923 v1

description: Die administrativen Betriebsdaten des IAB beginnen für Ostdeutschland erst im Jahr 1992 und es kann erst ab 1993 von einer hinreichenden Vollständigkeit der Ost-Meldungen ausgegangen werden. Somit fehlen Informationen für die wesentlichen Jahre 1989 bis 1991, in denen in Deutschland massive Umbrüche stattgefunden haben.

Durch eine Verknüpfung der administrativen Betriebsdaten des IAB (Betriebs-Historik-Panel 1992-2023) mit den Daten der Treuhandanstalt (THA) bzw. der Bundesanstalt für vereinigungsbedingte Sonderaufgaben (BvS) des Bundesarchivs (THA-BHP 8923) wurde diese Lücke geschlossen und es ist mit diesem Datenprodukt nun möglich ehemalige DDR-Unternehmen bzw. deren Betriebe, die durch die THA/BvS privatisiert wurden, in den administrativen Daten des IAB zu identifizieren. Für die Verknüpfung der Daten wurden Record Linkage Verfahren angewendet.
description: For East Germany, the IAB's administrative establishment data only starts in 1992, and the eastern reports can only be assumed to be sufficiently complete from 1993 onwards. This means that crucial information is missing for the years 1989 to 1991, during which Germany underwent significant upheaval.

This gap has been closed by linking the administrative establishment data of the IAB (Establishment History Panel, 1992–2023) with the data of the Treuhandanstalt (THA) and the Federal Agency for Unification-Related Special Tasks (BvS) of the Federal Archives (THA-BHP 8923). It is now possible to identify former GDR companies or their establishments that were privatised by the THA/BvS in the IAB's administrative data. Record linkage procedures were used to link the data.
DOI: 10.17026/ar/l5yd2z
title: PAN-00003325 - coin/coin-related, Tetricus I (271-274) ?, naar, antoninianus

description: &lt;p&gt;This find is registered at Portable Antiquities of the Netherlands with number PAN-00003325&lt;/p&gt;
description: Modified: 2025-09-29T17:34:39+02:00
DOI: 10.15468/dl.xs8qsb
title: Occurrence Download

description: A dataset listing the 68 species recorded in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((4.6976 45.61052,4.72075 45.61052,4.72075 45.62578,4.6976 45.62578,4.6976 45.61052))",
 "OccurrenceStatus is Present",
 "TaxonKey is Aves"
 ]
}

 The dataset's 68 records were derived from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0058037-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.87mnkd
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{"type":"and","predicates":[{"type":"within","geometry":"POLYGON ((70.748327 30.328071, 70.66699800000001 30.322493, 70.587698 30.305898, 70.512405 30.278701, 70.44299100000001 30.241579, 70.38117800000001 30.195456, 70.328491 30.14148, 70.286224 30.080992, 70.255404 30.015491, 70.236771 29.946597, 70.23075900000001 29.876013, 70.23748999999999 29.805478, 70.256773 29.736726, 70.28810799999999 29.671446, 70.33070600000001 29.611236, 70.38350699999999 29.55757, 70.445206 29.511756, 70.51428900000001 29.474912, 70.589067 29.447936, 70.66771799999999 29.431483, 70.748327 29.425954, 70.828936 29.431483, 70.90758700000001 29.447936, 70.982365 29.474912, 71.05144799999999 29.511756, 71.113147 29.55757, 71.165948 29.611236, 71.208546 29.671446, 71.239881 29.736726, 71.259164 29.805478, 71.265895 29.876013, 71.259883 29.946597, 71.24124999999999 30.015491, 71.21043 30.080992, 71.16816300000001 30.14148, 71.115476 30.195456, 71.053663 30.241579, 70.98424900000001 30.278701, 70.908956 30.305898, 70.829656 30.322493, 70.748327 30.328071))"},{"type":"equals","key":"CLASS_KEY","value":"212","matchCase":false},{"type":"greaterThanOrEquals","key":"YEAR","value":"2015","matchCase":false},{"type":"not","predicate":{"type":"in","key":"BASIS_OF_RECORD","values":["MATERIAL_CITATION","MATERIAL_SAMPLE","PRESERVED_SPECIMEN"],"matchCase":false}},{"type":"lessThanOrEquals","key":"COORDINATE_UNCERTAINTY_IN_METERS","value":"10000","matchCase":false},{"type":"equals","key":"LICENSE","value":"CC BY 4.0","matchCase":false}]}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0058051-251120083545085/datasets/export for details.
DOI: 10.5281/zenodo.17959928
title: Dataset - Digital and Experimental Design of CO₂-Responsive Polymers based on Acrylamide Monomers for Carbon Capture

description: The data presented correspond to the results reported in the publication “Digital and Experimental Design of CO₂-Responsive Polymers Based on Acrylamide Monomers for Carbon Capture.”, which investigates the CO₂ capture performance of the digital and experimental designed CO₂-responsive homopolymer poly(N-[3-(dimethylamino)propyl]acrylamide) (PDMAPAm) and its diblock copolymer poly(N-[3-(dimethylamino)propyl]acrylamide)-b-poly(methyl methacrylate) (PDMAPAm-b-PMMA), with a particular focus on their integration into membrane adsorbers for direct air capture (DAC) applications.

The dataset contains:

1. CO₂ adsorption-desorption isotherm of homopolymers (PDMAPAm and PMMA) with different molas masses and diblock copolymer (PDMAPAm-b-PMMA). (Data name: Data of CO₂ adsorption-desorption in dry conditions from gravimetric measurement.xlsx)

2. Change of kinetic parameters (qmax and kL) of Langmuir model with molar mass of homopolymer (PDMAPAm), PDMAPAm block content of diblock copolymer and temperature. (Data name: Data of Langmuir parameters qmax and kL.xlsx)

3. CO₂ Adsorption-desorption cycling experiments on PDMAPAm232 and on PDMAPAm232-b-PMMA57 at 1 bar and 30 °C. (Data name: Data for cycling experiments.xlsx)

4. Glass transition temperature (Tg) change of CO₂- and N₂-exposed PDMAPAm with two different molar masses at different pressures. (Data name: Data of glass transition temperature of CO2- and N2-exposed PDMAPAm.xlsx)

5. Unified model data combining polymerization kinetics with CO₂ adsorption kinetics under dry conditions. The model predicts the optimal synthesis recipe for PDMAPAm, including monomer (DMAPAm) conversion, number-average molar mass, and livingness as a function of polymerization time using the polymerization kinetic model (PDMAPAm163). Additionally, it forecasts the CO₂ adsorption capacity of the diblock copolymer PDMAPAm163-b-PMMA30 using the adsorption kinetic model.  (Data name: Data of unified model.xlsx)
DOI: 10.5281/zenodo.17959929
title: Dataset - Digital and Experimental Design of CO₂-Responsive Polymers based on Acrylamide Monomers for Carbon Capture

description: The data presented correspond to the results reported in the publication “Digital and Experimental Design of CO₂-Responsive Polymers Based on Acrylamide Monomers for Carbon Capture.”, which investigates the CO₂ capture performance of the digital and experimental designed CO₂-responsive homopolymer poly(N-[3-(dimethylamino)propyl]acrylamide) (PDMAPAm) and its diblock copolymer poly(N-[3-(dimethylamino)propyl]acrylamide)-b-poly(methyl methacrylate) (PDMAPAm-b-PMMA), with a particular focus on their integration into membrane adsorbers for direct air capture (DAC) applications.

The dataset contains:

1. CO₂ adsorption-desorption isotherm of homopolymers (PDMAPAm and PMMA) with different molas masses and diblock copolymer (PDMAPAm-b-PMMA). (Data name: Data of CO₂ adsorption-desorption in dry conditions from gravimetric measurement.xlsx)

2. Change of kinetic parameters (qmax and kL) of Langmuir model with molar mass of homopolymer (PDMAPAm), PDMAPAm block content of diblock copolymer and temperature. (Data name: Data of Langmuir parameters qmax and kL.xlsx)

3. CO₂ Adsorption-desorption cycling experiments on PDMAPAm232 and on PDMAPAm232-b-PMMA57 at 1 bar and 30 °C. (Data name: Data for cycling experiments.xlsx)

4. Glass transition temperature (Tg) change of CO₂- and N₂-exposed PDMAPAm with two different molar masses at different pressures. (Data name: Data of glass transition temperature of CO2- and N2-exposed PDMAPAm.xlsx)

5. Unified model data combining polymerization kinetics with CO₂ adsorption kinetics under dry conditions. The model predicts the optimal synthesis recipe for PDMAPAm, including monomer (DMAPAm) conversion, number-average molar mass, and livingness as a function of polymerization time using the polymerization kinetic model (PDMAPAm163). Additionally, it forecasts the CO₂ adsorption capacity of the diblock copolymer PDMAPAm163-b-PMMA30 using the adsorption kinetic model.  (Data name: Data of unified model.xlsx)
DOI: 10.5281/zenodo.17975346
title: Computational Data: Synthesis and characterization of a β-thio-δ-diimine (BTDDI) ligand and the related bimetallic methyl aluminium(III) compound

description: Fully relaxed equilibrium structures of the Al-based complex 5 as obtained by density functional theory (B3LYP10/def2-SVP and SMD: toluene) within singlet (S0) and triplet (T1) multiplicity. Further, charge density difference (CDDs) plots of key singlet-singlet and singlet-triplet excitations are provided as high resolution images as well as cube-files.
DOI: 10.5281/zenodo.17975345
title: Computational Data: Synthesis and characterization of a β-thio-δ-diimine (BTDDI) ligand and the related bimetallic methyl aluminium(III) compound

description: Fully relaxed equilibrium structures of the Al-based complex 5 as obtained by density functional theory (B3LYP10/def2-SVP and SMD: toluene) within singlet (S0) and triplet (T1) multiplicity. Further, charge density difference (CDDs) plots of key singlet-singlet and singlet-triplet excitations are provided as high resolution images as well as cube-files.
DOI: 10.5281/zenodo.17963415
title: Design of Polymer-Based CO₂-Membrane Adsorbers for Carbon Capture

description: The data presented correspond to the experimental results reported in the publication “Design of Polymer-Based CO₂-Membrane Adsorbers for Carbon Capture”, which investigates the CO₂ capture performance of PDMAPAm and its diblock copolymer PDMAPAm‐b‐PMMA as membrane adsorbers for direct air capture, optimizing polymer composition and operating conditions through integrated adsorption and kinetic modeling under dry and humid environments.

The dataset contains:

1.       Comparison of experimentally measured CO₂ adsorption capacity of homopolymer PDMAPAm, with the use of two different CO2 uptake instrumentations: a. quartz crystal (QCM) and b. gravimetric measurement device. (Data name: Data of comparison of CO2 uptake capacity of PDMAPAm from quartz crystal (QCM) and gravimetric adsorption measurement.xlsx)

2.       CO₂ and N₂ uptake of homopolymer PDMAPAm232 in dry and humid conditions (Data name: Data of CO₂ and N₂ uptake of homopolymer PDMAPAm232 in dry and humid conditions.xlsx)

3.       Dissipation value and heat release of adsorbing polymer layer as a function to exposure to dry CO₂, humid CO₂ and humid N₂ (Data name: Data of dissipation value change and heat release of adsorbed layer with exposure to gasses.xlsx)

4.       Humid CO₂ adsorption at different humidity levels at room temperature and atmospheric pressure (Data name: Data of humid CO2 adsorption at different humidity levels at room temperature and atmospheric pressure.xlsx)

5.       Kinetic parameters of Avrami adsorption model (qe and kA) as a function to relative humidity (Data name: Avrami parameters.xlsx)

6.       FTIR Spectrum of polymer PDMAPAm232 exposed to N₂, humid N₂ and humid CO₂ after drying them with N₂ for one night (Data name: FT_IR Data.xlsx)

7.       Overall dry and wet CO₂ uptake (physisorption + chemisorption) as a function to the polymer film thickness (Data name: Uptake_change_with_thickness.xlsx)

8.       Comparison of CO₂ capture performance for PDMAPAm232 and PDMAPAm232-b-PMMA57 films at dry and humid conditions (Data name: Total_uptake_of_CO2.xlsx)

9.       GPC data of polymers (Data name: GPC_Data.xlsx)
DOI: 10.5281/zenodo.17963416
title: Design of Polymer-Based CO₂-Membrane Adsorbers for Carbon Capture

description: The data presented correspond to the experimental results reported in the publication “Design of Polymer-Based CO₂-Membrane Adsorbers for Carbon Capture”, which investigates the CO₂ capture performance of PDMAPAm and its diblock copolymer PDMAPAm‐b‐PMMA as membrane adsorbers for direct air capture, optimizing polymer composition and operating conditions through integrated adsorption and kinetic modeling under dry and humid environments.

The dataset contains:

1.       Comparison of experimentally measured CO₂ adsorption capacity of homopolymer PDMAPAm, with the use of two different CO2 uptake instrumentations: a. quartz crystal (QCM) and b. gravimetric measurement device. (Data name: Data of comparison of CO2 uptake capacity of PDMAPAm from quartz crystal (QCM) and gravimetric adsorption measurement.xlsx)

2.       CO₂ and N₂ uptake of homopolymer PDMAPAm232 in dry and humid conditions (Data name: Data of CO₂ and N₂ uptake of homopolymer PDMAPAm232 in dry and humid conditions.xlsx)

3.       Dissipation value and heat release of adsorbing polymer layer as a function to exposure to dry CO₂, humid CO₂ and humid N₂ (Data name: Data of dissipation value change and heat release of adsorbed layer with exposure to gasses.xlsx)

4.       Humid CO₂ adsorption at different humidity levels at room temperature and atmospheric pressure (Data name: Data of humid CO2 adsorption at different humidity levels at room temperature and atmospheric pressure.xlsx)

5.       Kinetic parameters of Avrami adsorption model (qe and kA) as a function to relative humidity (Data name: Avrami parameters.xlsx)

6.       FTIR Spectrum of polymer PDMAPAm232 exposed to N₂, humid N₂ and humid CO₂ after drying them with N₂ for one night (Data name: FT_IR Data.xlsx)

7.       Overall dry and wet CO₂ uptake (physisorption + chemisorption) as a function to the polymer film thickness (Data name: Uptake_change_with_thickness.xlsx)

8.       Comparison of CO₂ capture performance for PDMAPAm232 and PDMAPAm232-b-PMMA57 films at dry and humid conditions (Data name: Total_uptake_of_CO2.xlsx)

9.       GPC data of polymers (Data name: GPC_Data.xlsx)
DOI: 10.17617/3.sj0i9g
title: Raw data to accompany the paper `` Path Integral Molecular Dynamics framework for Spin-Phonon systems"

description: Raw data and python scripts used for figures in the paper `` Path Integral Molecular Dynamics framework for Spin-Phonon systems"
DOI: 10.57760/sciencedb.j00113.00098
title: The data of the article "Nonlinear perturbation of a high-order exceptional point: skin discrete breathers and the hierarchical power-law scaling"
title: The data of the article "Nonlinear perturbation of a high-order exceptional point: skin discrete breathers and the hierarchical power-law scaling"

description: The code and data related to the article "Nonlinear perturbation of a high-order exceptional point: skin discrete breathers and the hierarchical power-law scaling" was accepted in the Journal of Chinese Physics B. Here, all the code and data for the figures in the article were organized into each individual folder named by the figure tag.The nonlinear energy spectrum and intensity profiles of stable DBs in Figure 1 can be calculated by the "4site_sigle_jump" in folder fig1 to solve Eq. (29) in Mathematica. We have already uploaded the numerical results of Eq. (29) as ".txt". And running "fig1.m" in Matlab can replot Figure 1.Figure 2 shows the hierarchical power-law scalings of energies and wave function in weak nonlinear strength. Readers can run the "fig2a.m" and "fig2b.m" in Matlab for replotting.Figure 3(a)(b) numerically check SDBs’s adiabaticity along with the change of bare strength of nonlinearity where the corresponding code is the "pDym.m" in folder fig3ab and the "4siteSJ_stable.nb" is used for the calculation of initial state. The energy spectrum and intensity profiles under periodic boundary conditions are shown in Figure 3(c)(d) and the code can be found as "fig3cd.m" in folder fig3cd.Figure 4(a)(b) describe the energy spectrum in the nonreciprocal case and many-body unidirectional case respectively, the code is in folder fig4.
description: The code and data related to the article "Nonlinear perturbation of a high-order exceptional point: skin discrete breathers and the hierarchical power-law scaling" was accepted in the Journal of Chinese Physics B. Here, all the code and data for the figures in the article were organized into each individual folder named by the figure tag.The nonlinear energy spectrum and intensity profiles of stable DBs in Figure 1 can be calculated by the "4site_sigle_jump" in folder fig1 to solve Eq. (29) in Mathematica. We have already uploaded the numerical results of Eq. (29) as ".txt". And running "fig1.m" in Matlab can replot Figure 1.Figure 2 shows the hierarchical power-law scalings of energies and wave function in weak nonlinear strength. Readers can run the "fig2a.m" and "fig2b.m" in Matlab for replotting.Figure 3(a)(b) numerically check SDBs’s adiabaticity along with the change of bare strength of nonlinearity where the corresponding code is the "pDym.m" in folder fig3ab and the "4siteSJ_stable.nb" is used for the calculation of initial state. The energy spectrum and intensity profiles under periodic boundary conditions are shown in Figure 3(c)(d) and the code can be found as "fig3cd.m" in folder fig3cd.Figure 4(a)(b) describe the energy spectrum in the nonreciprocal case and many-body unidirectional case respectively, the code is in folder fig4.
DOI: 10.15468/dl.pcu5m9
title: Occurrence Download

description: A dataset containing 2 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Crassostrea corteziensis, Ostrea corteziensis)",
 "HasCoordinate is true",
 "BasisOfRecord is one of (Observation, Machine Observation, Human Observation, Occurrence evidence)",
 "OccurrenceStatus is Present",
 "Year is greater than or equal to 1950"
 ]
}

 The dataset includes 2 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0058053-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.p3aa7a
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{"type":"and","predicates":[{"type":"within","geometry":"POLYGON ((70.663106 30.2497, 70.58184199999999 30.244122, 70.502605 30.227528, 70.42737099999999 30.20033, 70.358012 30.163208, 70.29624699999999 30.117086, 70.243601 30.06311, 70.201367 30.002621, 70.17057 29.937119, 70.15195 29.868225, 70.14594200000001 29.79764, 70.15266699999999 29.727104, 70.171933 29.658352, 70.203243 29.59307, 70.245808 29.532859, 70.29856700000001 29.479191, 70.360218 29.433377, 70.429248 29.396532, 70.503968 29.369555, 70.58255800000001 29.353102, 70.663106 29.347573, 70.74365400000001 29.353102, 70.822244 29.369555, 70.896964 29.396532, 70.96599399999999 29.433377, 71.02764500000001 29.479191, 71.080404 29.532859, 71.122969 29.59307, 71.154279 29.658352, 71.173545 29.727104, 71.18026999999999 29.79764, 71.174262 29.868225, 71.155642 29.937119, 71.12484499999999 30.002621, 71.082611 30.06311, 71.029965 30.117086, 70.9682 30.163208, 70.898841 30.20033, 70.823607 30.227528, 70.74437 30.244122, 70.663106 30.2497))"},{"type":"equals","key":"CLASS_KEY","value":"212","matchCase":false},{"type":"greaterThanOrEquals","key":"YEAR","value":"2015","matchCase":false},{"type":"not","predicate":{"type":"in","key":"BASIS_OF_RECORD","values":["MATERIAL_CITATION","MATERIAL_SAMPLE","PRESERVED_SPECIMEN"],"matchCase":false}},{"type":"lessThanOrEquals","key":"COORDINATE_UNCERTAINTY_IN_METERS","value":"10000","matchCase":false},{"type":"equals","key":"LICENSE","value":"CC BY 4.0","matchCase":false}]}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0058054-251120083545085/datasets/export for details.
DOI: 10.7910/dvn/iwrcuj
title: Supplemental Data for "Improving Abortion Data Capture in Add Health: Implications for Pregnancy-Related Research"

description: This presents the spreadsheet analyses underlying Tables 1-4 in the text. It is not full replication data.