cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc1yv6vv
title: CCDC 1812658: Experimental Crystal Structure Determination

description: Related Article: S. A. Adonin, L. I. Udalova, P. A. Abramov, M. N. Sokolov, V. P. Fedin|2018|Russ.J.Coord.Chem.|44|673|doi:10.1134/S1070328418110015
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.cc205qgd
title: CCDC 1852543: Experimental Crystal Structure Determination

description: Related Article: Subal Chandra Manna, Samar Dolai, Hyuma Masu, Albert Figuerola, Soumen Manna|2018|J.Mol.Struct.|1180|849|doi:10.1016/j.molstruc.2018.12.059
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.cc205qhf
title: CCDC 1852544: Experimental Crystal Structure Determination

description: Related Article: Subal Chandra Manna, Samar Dolai, Hyuma Masu, Albert Figuerola, Soumen Manna|2018|J.Mol.Struct.|1180|849|doi:10.1016/j.molstruc.2018.12.059
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.cc20fdlg
title: CCDC 1859925: Experimental Crystal Structure Determination

description: Related Article: Miles Wilklow-Marnell, William W. Brennessel|2018|Polyhedron|160|83|doi:10.1016/j.poly.2018.12.001
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.cc20fdmh
title: CCDC 1859926: Experimental Crystal Structure Determination

description: Related Article: Miles Wilklow-Marnell, William W. Brennessel|2018|Polyhedron|160|83|doi:10.1016/j.poly.2018.12.001
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.cc20fdnj
title: CCDC 1859927: Experimental Crystal Structure Determination

description: Related Article: Miles Wilklow-Marnell, William W. Brennessel|2018|Polyhedron|160|83|doi:10.1016/j.poly.2018.12.001
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.cc20jwq5
title: CCDC 1863277: Experimental Crystal Structure Determination

description: Related Article: Shinsuke Araki, Yusuke Nakayama, Osamu Sano, Shoichi Nakao, Mari Shimizu-Ogasawara, Hiroyoshi Toyoshiba, Atsushi Nakanishi, Samuel Aparicio|2018|Cell Chem.iol.|25|1470|doi:10.1016/j.chembiol.2018.09.006
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.cc218v7f
title: CCDC 1885334: Experimental Crystal Structure Determination

description: Related Article: Brian W. Skelton, Effendy, Allan H. White|2018|CSD Communication|||
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: 10.15151/esrf-es-53832340
title: Cambridge MRC Block allocation
DOI: 10.5281/zenodo.2317069
title: Binary neutron-star simulation SXS:NSNS:0001

description: Simulation of a neutron-star binary system evolved by the SpEC code.
DOI: 10.5281/zenodo.2317070
title: Binary neutron-star simulation SXS:NSNS:0001

description: Simulation of a neutron-star binary system evolved by the SpEC code.
DOI: 10.5281/zenodo.2317095
title: Binary neutron-star simulation SXS:NSNS:0002

description: Simulation of a neutron-star binary system evolved by the SpEC code.
DOI: 10.5281/zenodo.2317096
title: Binary neutron-star simulation SXS:NSNS:0002

description: Simulation of a neutron-star binary system evolved by the SpEC code.
DOI: 10.5281/zenodo.2317398
title: Black-hole neutron-star binary simulation SXS:BHNS:0004

description: Simulation of a black-hole neutron-star binary system evolved by the SpEC code.
DOI: 10.5281/zenodo.2317404
title: Black-hole neutron-star binary simulation SXS:BHNS:0005

description: Simulation of a black-hole neutron-star binary system evolved by the SpEC code.
DOI: 10.5281/zenodo.2317405
title: Black-hole neutron-star binary simulation SXS:BHNS:0005

description: Simulation of a black-hole neutron-star binary system evolved by the SpEC code.
DOI: 10.5281/zenodo.2317432
title: Black-hole neutron-star binary simulation SXS:BHNS:0006

description: Simulation of a black-hole neutron-star binary system evolved by the SpEC code.
DOI: 10.5281/zenodo.2317433
title: Black-hole neutron-star binary simulation SXS:BHNS:0006

description: Simulation of a black-hole neutron-star binary system evolved by the SpEC code.
DOI: 10.5281/zenodo.2318211
title: Binary neutron-star simulation SXS:NSNS:0001

description: Simulation of a neutron-star binary system evolved by the SpEC code.
DOI: 10.5517/ccdc.csd.cc1zz3sv
title: CCDC 1846198: Experimental Crystal Structure Determination

description: Related Article: Artem L. Gushchin, Yuliya A. Laricheva, Pavel A. Abramov, Maxim N. Sokolov|2018|Inorg.Chem.Commun.|95|163|doi:10.1016/j.inoche.2018.07.033
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: 10.14469/hpc/4901
title: FAIR Data table. Elevated Reaction Order of 1,3,5-tri-tert-butylbenzene Bromination as Evidence of a Clustered Polybromide Transition State: a Combined Kinetic and Computational Study

description: FAIR data table summarising the relative computed free energies for species calculated for the reaction
DOI: 10.14469/hpc/4902
title: 5Br2 + 2,4,6-tributylbenzene in CCl4, TS1 for WI, GD3BJ Def2-TZVPP -26445.891839

description: Gaussian Calculation
DOI: 10.15151/esrf-es-59883644
title: The London Cancer BAG comprising the the ICR, the University of Susses and the Francis Crick Institute
DOI: 10.25345/c5rp6h
title: MassIVE MSV000083241 - Etude COBRA 181130_Positif
title: Analyse de deux extraits Apiaceae et Asteraceae et melange de standards. Separation sur colonne BEH shield C18. Mde d'ionisation positif
DOI: 10.5281/zenodo.2300615
title: GTEX BioBombe Results

description: BioBombe analysis applied to gene expression data from The Genotype-Tissue Expression (GTEx) project. Method and results described in https://github.com/greenelab/BioBombe
DOI: 10.5281/zenodo.2317399
title: Black-hole neutron-star binary simulation SXS:BHNS:0004

description: Simulation of a black-hole neutron-star binary system evolved by the SpEC code.
DOI: 10.5281/zenodo.2317426
title: Black-hole neutron-star binary simulation SXS:BHNS:0007

description: Simulation of a black-hole neutron-star binary system evolved by the SpEC code.
DOI: 10.5281/zenodo.2317427
title: Black-hole neutron-star binary simulation SXS:BHNS:0007

description: Simulation of a black-hole neutron-star binary system evolved by the SpEC code.
DOI: 10.5281/zenodo.2318210
title: Binary neutron-star simulation SXS:NSNS:0001

description: Simulation of a neutron-star binary system evolved by the SpEC code.
DOI: 10.5281/zenodo.2318272
title: Black-hole neutron-star binary simulation SXS:BHNS:0003

description: Simulation of a black-hole neutron-star binary system evolved by the SpEC code.
DOI: 10.5281/zenodo.2318273
title: Black-hole neutron-star binary simulation SXS:BHNS:0003

description: Simulation of a black-hole neutron-star binary system evolved by the SpEC code.
DOI: 10.5281/zenodo.2318363
title: Formation of extended thermal etch pits on annealed Ge wafers -DataSet

description: Dataset supporting the publication: 10.1016/j.apsusc.2018.08.075 arXiv:1809.03404, including optical microscopy, atomic force microscopy, scanning electron micoscopy
DOI: 10.5281/zenodo.2318364
title: Formation of extended thermal etch pits on annealed Ge wafers -DataSet

description: Dataset supporting the publication: 10.1016/j.apsusc.2018.08.075 arXiv:1809.03404, including optical microscopy, atomic force microscopy, scanning electron micoscopy
DOI: 10.5281/zenodo.2319401
title: Control of Electron State Coupling in Asymmetric Ge/GeSi Quantum Wells - DataSet

description: Relevant dataset (FTIR data as TM/TE vs energy) for the publication "Control of electron state coupling in asymmetric Ge/GeSi quantum wells" published in Physical Review Applied (10.5281/zenodo.2319242)
DOI: 10.5281/zenodo.2319402
title: Control of Electron State Coupling in Asymmetric Ge/GeSi Quantum Wells - DataSet

description: Relevant dataset (FTIR data as TM/TE vs energy) for the publication "Control of electron state coupling in asymmetric Ge/GeSi quantum wells" published in Physical Review Applied (10.5281/zenodo.2319242)
DOI: 10.5281/zenodo.2320657
title: Photoluminescence study of interband transitions in few-layer, pseudomorphic, and strain-unbalanced Ge/GeSi multiple quantum wells - Dataset

description: Relevant PL data (as txt files) for the publication 

10.1103/PhysRevB.98.195310
DOI: 10.5281/zenodo.2320658
title: Photoluminescence study of interband transitions in few-layer, pseudomorphic, and strain-unbalanced Ge/GeSi multiple quantum wells - Dataset

description: Relevant PL data (as txt files) for the publication 

10.1103/PhysRevB.98.195310
DOI: 10.5517/ccdc.csd.cc1zz67d
title: CCDC 1846274: Experimental Crystal Structure Determination

description: Related Article: Massimo Brochetta, Tania Borsari, Andrea Gandini, Sandip Porey, Arghya Deb, Emanuele Casali, Arka Chakraborty, Giuseppe Zanoni, Debabrata Maiti|2018|Chem.-Eur.J.|25|750|doi:10.1002/chem.201805097
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: 10.5281/zenodo.2322409
title: Survey data on the perceptions and impacts of gender inequality in the geosciences

description: The data stem from an anonymous, online survey conducted from March 25 to April 11, 2018 using Google Surveys. The link to the survey was distributed by the authors via emails and social media (Twitter and Facebook). Among the 1415 participants, we analyzed the responses of those who identified as either female or male (leaving out seven non-binary respondents due to the small sample size), and currently work in academia (i.e., universities or research institutes, including emeritus and adjunct professors, research support staff, and research assistants). We thereby retained 1220 respondents with a gender distribution of 67.0% female to 33.0% male survey participants.
DOI: 10.15151/esrf-es-181929278
title: Astbury Centre for Structural Molecular Biology University of Leeds Block Allocation Group
DOI: 10.5517/ccdc.csd.cc218vy4
title: CCDC 1885356: Experimental Crystal Structure Determination

description: Related Article: Brian W. Skelton, Effendy, Allan H. White|2018|CSD Communication|||
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: 10.7910/dvn/glht11/6ygmbm
title: Slovenia 2000-2013.tab

description: Data file for Slovenia
DOI: 10.7910/dvn/glht11/zlzndk
title: Hungary 2000-2014.tab

description: Data file for Hungary
DOI: 10.25934/00003289
title: Stans Installation Verification 12/16

description: Vivli is an independent, non-profit organization that has developed a global data-sharing and analytics platform to serve all elements of the international research community. Our mission is to promote, coordinate, and facilitate scientific sharing and reuse of clinical research data through the creation and implementation of a sustainable global data-sharing enterprise. The Vivli platform includes an independent data repository, in-depth search engine and a cloud-based, secure analytics platform.
DOI: 10.5061/dryad.2575gp0/1
title: Dryad Item 10.5061/DRYAD.2575GP0/1

description: (:tba)
DOI: 10.5281/zenodo.2260892
title: Development of a Self-Healing and Rejuvenating Mechanisms for Asphalt Mixtures Containing Recycled Asphalt Shingle

description: Corresponding data set for Tran-SET Project No. 17BLSU06. Abstract of the final report is stated below for reference: "The objective of this study was to test the hypothesis that hollow-fibers encapsulating a rejuvenator product could improve both self-healing, rejuvenation, and mechanical properties of asphalt mixtures. Hollow-fibers containing a rejuvenating product were synthesized via a wet spinning procedure with sodium-alginate polymer as the encapsulating material. An optimization of the production parameters for the synthesis of fibers was performed to develop fibers suitable for high-temperature and shear stress environment typical of asphalt mixture production. A self-healing experiment was conducted to evaluate the healing/rejuvenation capabilities of sodium-alginate fibers in asphalt mixtures with varying types of binders and recycled materials. Based on the self-healing experiment, a 5% fiber content was determined to be the optimum fiber content to enhance the self-healing ability of asphalt mixtures. In addition, the effect of different fiber contents on binder blends and asphalt mixtures was evaluated by performing the Multiple Stress Creep Recovery (MSCR) and Semi-Circular Bending (SCB) tests. Results of the self-healing experiment showed that the enhancement in the healing recovery depends on the breakage of the fibers. When the fibers break, the rejuvenator is released resulting in softening of the binder. In contrast, when the fibers do not break, they act as a reinforcement for the mix. Loaded Wheel Tester (LWT) test results showed a performance improvement against permanent deformation for asphalt mixtures containing recycled materials with sodium-alginate fibers compared to conventional asphalt mixtures. Furthermore, SCB test results showed that the addition of sodium-alginate fibers enhanced the fracture properties of asphalt mixtures with Recycled Asphalt Shingle (RAS) at intermediate temperatures. Moreover, the addition of fibers in mixtures with recycled materials resulted in an improved performance against low-temperature cracking as the mixtures resisted higher stresses before failure."
description: Tran-SET Project No. 17BLSU06
DOI: 10.5281/zenodo.2309960
title: Coastal Bridges under Hurricane Stresses along the Texas and Louisiana Coast

description: Corresponding data set for Tran-SET Project No. 17STTSA02. Abstract of the final report is stated below for reference: "The main objective of this study was to develop a high-resolution model capable of simulating the response of bridge structures to hydrodynamic loads for hurricane design conditions (i.e. surge height, wave height, and frequency) expected in the Texas-Louisiana coast. The model relied on Coupled Eulerian-Lagrangian techniques (CEL) where solids are simulated with Lagrangian meshes, while fluids are simulated using Eulerian meshes, and was calibrated using historical data from wave impact laboratory tests. Two high resolution models were created, the first of a tsunami wave impact test conducted at Oregon State University and the second of a bridge located in the Gulf Coast that was heavily impacted by hurricane Katrina. The tsunami wave impact model showed that the CEL technique could provide accurate estimates of wave elevation, water velocity, and wall reaction recorded during the tests at Oregon State University. The bridge model was used to calculate bridge support demands for a representative combination of storm surge, wave velocity and wave length."
description: Tran-SET Project No. 17STTSA02
DOI: 10.5281/zenodo.2309961
title: Coastal Bridges under Hurricane Stresses along the Texas and Louisiana Coast

description: Corresponding data set for Tran-SET Project No. 17STTSA02. Abstract of the final report is stated below for reference: "The main objective of this study was to develop a high-resolution model capable of simulating the response of bridge structures to hydrodynamic loads for hurricane design conditions (i.e. surge height, wave height, and frequency) expected in the Texas-Louisiana coast. The model relied on Coupled Eulerian-Lagrangian techniques (CEL) where solids are simulated with Lagrangian meshes, while fluids are simulated using Eulerian meshes, and was calibrated using historical data from wave impact laboratory tests. Two high resolution models were created, the first of a tsunami wave impact test conducted at Oregon State University and the second of a bridge located in the Gulf Coast that was heavily impacted by hurricane Katrina. The tsunami wave impact model showed that the CEL technique could provide accurate estimates of wave elevation, water velocity, and wall reaction recorded during the tests at Oregon State University. The bridge model was used to calculate bridge support demands for a representative combination of storm surge, wave velocity and wave length."
description: Tran-SET Project No. 17STTSA02
DOI: 10.5281/zenodo.2329057
title: Fatigue Crack Propagation Benchmark,  GDR 3651 FATACRACK

description: This is a data set for fatigue crack propagation following the benchmark defined within the french research network GDR 3651 FATACRACK funded by CNRS http://www.gdr3651.cnrs.fr. 

Only two test configurations are reported in this data set. But DIC allows to provide for the analysis not only of the crack tip state ( tip position, crack growth rate and stress intensity factors) but also of the displacement amplitude along the boundary of the analyzed domain. The data set can thus be used to validate fatigue crack growth models.

A detailed description of the data set is given in the pdf file Fatigue_Crack_Propagation_Benchmark.pdf.

<strong>!!!!! there is unfortunately a mistake in the pdf document: the sample thickness is 4 mm !!!!!</strong>

<br>
DOI: 10.14469/hpc/4903
title: 5Br2 + 2,4,6-tributylbenzene in CCl4, Product GD3BJ Def2-TZVPP -26445.892460

description: Gaussian Calculation
DOI: 10.14469/hpc/4904
title: 5Br2 + 2,4,6-tributylbenzene in CCl4, Product GD3BJ Def2-TZVPP -26445.892460

description: Gaussian Calculation
DOI: 10.5281/zenodo.2260891
title: Development of a Self-Healing and Rejuvenating Mechanisms for Asphalt Mixtures Containing Recycled Asphalt Shingle

description: Corresponding data set for Tran-SET Project No. 17BLSU06. Abstract of the final report is stated below for reference: "The objective of this study was to test the hypothesis that hollow-fibers encapsulating a rejuvenator product could improve both self-healing, rejuvenation, and mechanical properties of asphalt mixtures. Hollow-fibers containing a rejuvenating product were synthesized via a wet spinning procedure with sodium-alginate polymer as the encapsulating material. An optimization of the production parameters for the synthesis of fibers was performed to develop fibers suitable for high-temperature and shear stress environment typical of asphalt mixture production. A self-healing experiment was conducted to evaluate the healing/rejuvenation capabilities of sodium-alginate fibers in asphalt mixtures with varying types of binders and recycled materials. Based on the self-healing experiment, a 5% fiber content was determined to be the optimum fiber content to enhance the self-healing ability of asphalt mixtures. In addition, the effect of different fiber contents on binder blends and asphalt mixtures was evaluated by performing the Multiple Stress Creep Recovery (MSCR) and Semi-Circular Bending (SCB) tests. Results of the self-healing experiment showed that the enhancement in the healing recovery depends on the breakage of the fibers. When the fibers break, the rejuvenator is released resulting in softening of the binder. In contrast, when the fibers do not break, they act as a reinforcement for the mix. Loaded Wheel Tester (LWT) test results showed a performance improvement against permanent deformation for asphalt mixtures containing recycled materials with sodium-alginate fibers compared to conventional asphalt mixtures. Furthermore, SCB test results showed that the addition of sodium-alginate fibers enhanced the fracture properties of asphalt mixtures with Recycled Asphalt Shingle (RAS) at intermediate temperatures. Moreover, the addition of fibers in mixtures with recycled materials resulted in an improved performance against low-temperature cracking as the mixtures resisted higher stresses before failure."
description: Tran-SET Project No. 17BLSU06
DOI: 10.25345/c57p5g
title: MassIVE MSV000083245 - GNPS Solanum Laciniatum (Poroporo) Profiling
title: Solanum laciniatum unripe fruit sample extract made up with MeOH and analysed by LCMS on a UHPLC-micrOTOF-Q instrument. Solanum lacianiatum sample collected from Old West Road, Palmerston North, Manawatu-Wanganui, New Zealand.
DOI: 10.25345/c5cc94
title: MassIVE MSV000083244 - GNPS-High-resolution accurate-mass (HRAM) Orbitrap GC-EI-MS analysis of Human Serum_Derivatized
title: GNPS-High-resolution accurate-mass (HRAM) Orbitrap GC-EI-MS analysis of Human Serum_Derivatized
DOI: 10.25345/c5h607
title: MassIVE MSV000083243 - GNPS-High-resolution accurate-mass (HRAM) Orbitrap GC-EI-MS analysis of Human Serum_NON-Derivatized
title: GNPS-High-resolution accurate-mass (HRAM) Orbitrap GC-EI-MS analysis of Human Serum_NON-Derivatized