cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2d7lr0
title: CCDC 2211842: Experimental Crystal Structure Determination

description: Related Article: Yang Jiao, Haochuan Mao, Yunyan Qiu, Guangcheng Wu, Hongliang Chen, Long Zhang, Han Han, Xuesong Li, Xingang Zhao, Chun Tang, Xiao-Yang Chen, Yuanning Feng, Charlotte L. Stern, Michael R. Wasielewski, J. Fraser Stoddart|2022|J.Am.Chem.Soc.|144|23168|doi:10.1021/jacs.2c10882
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.cc2dczwn
title: CCDC 2216062: Experimental Crystal Structure Determination

description: Related Article: Aritz Landart-Gereka, María Mar Quesada-Moreno, María A. Palacios, Ismael F. Díaz-Ortega, Hiroyuki Nojiri, Mykhaylo Ozerov, J. Krzystek, Enrique Colacio|2023|Chem.Commun.|59|952|doi:10.1039/D2CC06012D
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.cc2dczxp
title: CCDC 2216063: Experimental Crystal Structure Determination

description: Related Article: Aritz Landart-Gereka, María Mar Quesada-Moreno, María A. Palacios, Ismael F. Díaz-Ortega, Hiroyuki Nojiri, Mykhaylo Ozerov, J. Krzystek, Enrique Colacio|2023|Chem.Commun.|59|952|doi:10.1039/D2CC06012D
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: 10.25824/redu/n4nh0m
title: Supporting_Information-Biomacromolecules.rar
DOI: 10.5517/ccdc.csd.cc2dg0yv
title: CCDC 2218017: Experimental Crystal Structure Determination

description: Related Article: Michela Marcon, Stefano Crespi, Andreas Pielmeier, Burkhard König|2023|Chem.Commun.|59|948|doi:10.1039/D2CC06250J
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: 10.25824/redu/qnuhhx
title: Supporting_Information-BoneNanoscale.rar
DOI: 10.25824/redu/i04yxh
title: Supporting_Information-ACS-BoneNanoscale.rar
DOI: 10.25824/redu/3akxgz
title: Supporting information for the role of the Rxtrafibrillar volume on the mechanical properties of molecular models of mineralized bone microfibrils

description: These files and scripts belong to the Supporting Information of the article: The Role of the Extrafibrillar Volume on the Mechanical Properties of Molecular Models of Mineralized Bone Microfibrils Amadeus C. S. de Alcântara, Levi C. Felix, Douglas S. Galvão, Paulo Sollero, Munir S. Skaf ACS Biomaterials Science & Engineering 2022 https://doi.org/10.1021/acsbiomaterials.2c00728 The article, together with these files, aims to provide a detailed prescription on how to convert molecular bone models, previously equilibrated by about ~100 ns in NAMD, to LAMMPS. Files describing how to perform tensile tests with MD simulation in LAMMPS are also provided.
DOI: 10.6084/m9.figshare.21923550
title: Progeny

description: Fixed progeny resource for the sc-best-practices.org book. Extracted from decoupler-py.
DOI: 10.6084/m9.figshare.21923550.v1
title: Progeny

description: Fixed progeny resource for the sc-best-practices.org book. Extracted from decoupler-py.
DOI: 10.5281/zenodo.7148017
title: Triple-resolution of spectral phases via semi-relativistic ab-initio RABBITT simulations DATA & WORKFLOW

description: This dataset contains the necessary atomic structure and input files to use the R-Matrix with Time-dependence code suite (open source and freely available) to replicate the results presented in "Triple-resolution of spectral phases via semi-relativistic ab-initio RABBITT simulations". Additionally, the output photoelectron momentum spectra data output from the RMT simulations are provided, to allow replication of the post-processing and spectral phase extraction processes in the absence of access to a large HPC cluster. Finally, a link is provided to a git repository hosted on gitlab.com where post-processing, spectral phase extraction, and visualisation tools are available to operate on these momentum spectra, and an interactive example is provided via a webhosted (via mybinder) Python Jupyter notebook.
DOI: 10.6084/m9.figshare.21923643
title: Intergroup discrimination dataset for JCCP

description: 95-country data set for study of the effects of atmospheric variables on intergroup discrimination
DOI: 10.6084/m9.figshare.21923643.v1
title: Intergroup discrimination dataset for JCCP

description: 95-country data set for study of the effects of atmospheric variables on intergroup discrimination
DOI: 10.15784/601657
title: CTD data from Mercer Subglacial Lake and access borehole

description: This dataset includes binned conductivity, temperature and pressure measurements from Mercer Subglacial Lake and the borehole drilled to access the lake by the SALSA project, as well as additional physical parameters derived from these measurements using the TEOS-10 equation of state.
DOI: 10.6084/m9.figshare.21923394
title: Floating solar Photovoltaic potential in existing hydropower reservoirs in Africa

description: Detailed dataset of the 146 reservoirs studied in the study: Assessment of floating solar photovoltaics potential in existing hydropower reservoirs in Africa Authors: RocioGonzalez Sanchez, IoannisKougias, MagdaMoner-Girona, FernandoFahl, ArnulfJäger-Waldau <br> European Commission, Joint Research Centre (JRC), Ispra, Italy Published: 22 January 2021. Corresponding authors: Arnulf.JAEGER-WALDAU@ec.europa.eu <br>
DOI: 10.6084/m9.figshare.21923394.v1
title: Floating solar Photovoltaic potential in existing hydropower reservoirs in Africa

description: Detailed dataset of the 146 reservoirs studied in the study: Assessment of floating solar photovoltaics potential in existing hydropower reservoirs in Africa Authors: RocioGonzalez Sanchez, IoannisKougias, MagdaMoner-Girona, FernandoFahl, ArnulfJäger-Waldau <br> European Commission, Joint Research Centre (JRC), Ispra, Italy Published: 22 January 2021. Corresponding authors: Arnulf.JAEGER-WALDAU@ec.europa.eu <br>
DOI: 10.35078/tdcbat
title: Replication Data for: Ficha epidemiológica de localidade: Distrito: Uberaba | Município: Santa Vitória

description: Levantamento Triatomínico com operações de campo ocorridas em Minas Gerais pela Superintendência de Campanhas de Saúde Pública (SUCAM) e FUNASA (Fundação Nacional de Saúde), no período de 1979 a 1999, objetivando a busca da presença de vetores da doença de Chagas ou de vestígios dessa presença. A partir dela são orientadas as operações com inseticida (pt) Triatomine survey with field operations carried out in Minas Gerais by the Public Health Campaigns Superintendence (SUCAM) and FUNASA (National Health Foundation), from 1979 to 1999, aiming to search for the presence of Chagas disease vectors or traces of that presence. From it, operations with insecticide are guided (en) Encuesta de triatominos con operaciones de campo realizada en Minas Gerais por la Superintendencia de Campañas de Salud Pública (SUCAM) y FUNASA (Fundación Nacional de Salud), de 1979 a 1999, con el objetivo de buscar la presencia de vectores de la enfermedad de Chagas o rastros de esa presencia. Desde ella se orientan las operaciones con insecticida (es)
DOI: 10.5517/ccdc.csd.cc2h4k18
title: CCDC 2298279: Experimental Crystal Structure Determination

description: Related Article: Xiaoyu Liu, Yaru Sun, Shuang Hong, Xia Ji, Wei Gao, Haolin Yuan, Yue Zhang, Bin Lei, Liangfu Tang, Zhijin Fan|2023|Org.Biomol.Chem.|22|120|doi:10.1039/D3OB01717F
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.cc2h4m5g
title: CCDC 2298345: Experimental Crystal Structure Determination

description: Related Article: Xiaoyu Liu, Yaru Sun, Shuang Hong, Xia Ji, Wei Gao, Haolin Yuan, Yue Zhang, Bin Lei, Liangfu Tang, Zhijin Fan|2023|Org.Biomol.Chem.|22|120|doi:10.1039/D3OB01717F
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.cc2h4wh1
title: CCDC 2298603: Experimental Crystal Structure Determination

description: Related Article: Yuichiro Kawamoto, Ayaka Nishitani, Yukari Yoshimura, Toyoharu Kobayashi, Hisanaka Ito|2023|Chem.Commun.|60|95|doi:10.1039/D3CC05130G
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.cc2h5b89
title: CCDC 2299030: Experimental Crystal Structure Determination

description: Related Article: Anton P. Novikov, Alexey V. Safonov, Konstantin E. German, Mikhail S. Grigoriev|2023|CrystEngComm|26|61|doi:10.1039/D3CE01164J
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.cc2h5b9b
title: CCDC 2299031: Experimental Crystal Structure Determination

description: Related Article: Anton P. Novikov, Alexey V. Safonov, Konstantin E. German, Mikhail S. Grigoriev|2023|CrystEngComm|26|61|doi:10.1039/D3CE01164J
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.cc2h5byz
title: CCDC 2299051: Experimental Crystal Structure Determination

description: Related Article: Benyu Zhou, Shantabh Bedajna, François P. Gabbaï|2023|Chem.Commun.|60|192|doi:10.1039/D3CC04942F
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.cc2h5bz0
title: CCDC 2299052: Experimental Crystal Structure Determination

description: Related Article: Benyu Zhou, Shantabh Bedajna, François P. Gabbaï|2023|Chem.Commun.|60|192|doi:10.1039/D3CC04942F
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.cc2h5c02
title: CCDC 2299053: Experimental Crystal Structure Determination

description: Related Article: Benyu Zhou, Shantabh Bedajna, François P. Gabbaï|2023|Chem.Commun.|60|192|doi:10.1039/D3CC04942F
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.cc2h5c13
title: CCDC 2299054: Experimental Crystal Structure Determination

description: Related Article: Benyu Zhou, Shantabh Bedajna, François P. Gabbaï|2023|Chem.Commun.|60|192|doi:10.1039/D3CC04942F
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.cc2h5l2c
title: CCDC 2299272: Experimental Crystal Structure Determination

description: Related Article: Nilankar Diyali, Meena Chettri, Subhajit Saha, Ankita Saha, Subhankar Kundu, Debasish Mondal, Debasis Dhak, Bhaskar Biswas|2023|CrystEngComm|25|6837|doi:10.1039/D3CE00996C
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.cc2h5n9n
title: CCDC 2299341: Experimental Crystal Structure Determination

description: Related Article: Ahyung Jung, Yang Li, Kang Min Ok|2023|Dalton Trans.|53|105|doi:10.1039/D3DT03257D
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.cc2h5nbp
title: CCDC 2299342: Experimental Crystal Structure Determination

description: Related Article: Ahyung Jung, Yang Li, Kang Min Ok|2023|Dalton Trans.|53|105|doi:10.1039/D3DT03257D
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.cc2h5ncq
title: CCDC 2299343: Experimental Crystal Structure Determination

description: Related Article: Ahyung Jung, Yang Li, Kang Min Ok|2023|Dalton Trans.|53|105|doi:10.1039/D3DT03257D
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.cc2h5ndr
title: CCDC 2299344: Experimental Crystal Structure Determination

description: Related Article: Ahyung Jung, Yang Li, Kang Min Ok|2023|Dalton Trans.|53|105|doi:10.1039/D3DT03257D
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: 10.25919/c629-4m14
title: Parkes observations for project P1219 semester 2023OCTS_11

description: The magnetic field potentially regulates the process of star formation and the evolution of molecular clouds. It is inherently difficult to measure interstellar magnetic field strengths, with the measurement of Zeeman splitting a unique method to estimate the magnetic field strength along the line of sight directly. Despite the detection of Zeeman splitting in other mediums, there are as yet no Zeeman detections against compact background sources in quiescent molecular clouds or the cold neutral medium. Pulsars with extremely small solid angles and relatively high transverse velocities are ideal background sources to study the magnetic field in molecular clouds, providing a distinct signal to measure splitting against. There are four pulsars with OH absorption detections, namely PSR B1849+00, B1641-45, B1718-35, and B1749-28. We propose to utilize these four pulsars to explore the properties of the magnetic field and its variations within molecular clouds through both the Zeeman splitting of OH absorption and rotation measure estimations, between epochs. If a detection is confirmed, it will open a new window on the hard-to-measure magnetic fields in molecular clouds, independent of interpretation, thus shedding light on the physics of star formation and the interstellar medium.
DOI: 10.34740/kaggle/dsv/7263638
title: Public Opinion Russia Ukraine War (Updated Daily)
DOI: 10.5281/zenodo.10426265
title: Continous Energy Neutron Cross Section Data Library for MCDC

description: This is the cross section library for the dynamic neutron transport code MC/DC [github], [documentation]. The data is published as .h5 files and is mono-temperature. This data is produced from data provided by OpenMC and is copmiled for MC/DC's use.

This work was supported by the Center for Exascale Monte-Carlo Neutron Transport (CEMeNT) a PSAAP-III project funded by the Department of Energy, grant number: DE-NA003967.
DOI: 10.5281/zenodo.10426266
title: Continous Energy Neutron Cross Section Data Library for MCDC

description: This is the cross section library for the dynamic neutron transport code MC/DC [github], [documentation]. The data is published as .h5 files and is mono-temperature. This data is produced from data provided by OpenMC and is copmiled for MC/DC's use.

This work was supported by the Center for Exascale Monte-Carlo Neutron Transport (CEMeNT) a PSAAP-III project funded by the Department of Energy, grant number: DE-NA003967.
DOI: 10.18739/a2w66999p
title: Bromine monoxide mixing ratio profiles in Northern Alaska during spring 2022 via Airborne Multi-AXis Differential Optical Absorption Spectroscopy (AMAX-DOAS)

description: This data contains 245 bromine monoxide (BrO) profiles measured over the North Slope of Alaska during Spring 2022 during the Clouds, Halogens and Aerosols (CHACHA) field campaign. Scattered-sunlight spectra were recorded via a near-limb airborne spectrometer to retrieve BrO differential slant column densities (dSCDs). Coupled with vertical profiling of the atmosphere by the aircraft, these dSCDs were combined with radiative transfer model results to calculate BrO profiles via optimal estimation.
 The resulting BrO profiles were grouped into four common patterns using an untrained K-means clustering algorithm. The cluster labels can also be found in this dataset, along with support variables that may be beneficial for chemical modelling (e.g. temperature, ozone concentration, etc.). More details on the methods used and the contents of this dataset can be found in Brockway et al., 2023 (Atmospheric Chemistry and Physics). Any questions about this data can be directed to William Simpson at University of Alaska Fairbanks.
DOI: 10.18739/a28s4jq9g
title: Bromine monoxide mixing ratio profiles in Northern Alaska during spring 2022 via Airborne Multi-AXis Differential Optical Absorption Spectroscopy (AMAX-DOAS)

description: This data contains 245 bromine monoxide (BrO) profiles measured over the North Slope of Alaska during Spring 2022 during the Clouds, Halogens and Aerosols (CHACHA) field campaign. Scattered-sunlight spectra were recorded via a near-limb airborne spectrometer to retrieve BrO differential slant column densities (dSCDs). Coupled with vertical profiling of the atmosphere by the aircraft, these dSCDs were combined with radiative transfer model results to calculate BrO profiles via optimal estimation.
 The resulting BrO profiles were grouped into four common patterns using an untrained K-means clustering algorithm. The cluster labels can also be found in this dataset, along with support variables that may be beneficial for chemical modelling (e.g. temperature, ozone concentration, etc.). More details on the methods used and the contents of this dataset can be found in Brockway et al., 2023 (Atmospheric Chemistry and Physics). Any questions about this data can be directed to William Simpson at University of Alaska Fairbanks.
DOI: 10.18739/a2rj48w7c
title: Multispectral Orthomosaic Image for the Swan Lake Drained Lake Basin (MP64) Beaver Dams, Seward Peninsula, Alaska, 12 August 2022

description: Emergence of beavers as ecosystem engineers in the New Arctic project focuses on establishing field sites at tundra beaver ponds to study the implications of beaver engineering on hydrology and permafrost. Drones are being used to collect baseline data and track beaver dam building and pond evolution over time. This dataset consists of a multispectral orthomosaic derived from drone surveys on 12 August 2022 at the Swan Lake Drained Lake Basin, MP64, site on the Seward Peninsula, Alaska. 2286 digital images from five spectral bands were acquired from a DJI Phantom 4 Real-Time Kinematic (DJI P4RTK) quadcopter with a DJI D-RTK 2 Mobile Base Station. The mapped area was around 27 hectares (ha). The drone system was flown at 120 meters (m) above ground level (agl) and images were captured using the hover and capture at point mode. The orientation of the camera was set to 90 degrees (i.e. looking straight down). The along-track overlap and across-track overlap of the mission were set at 80% and 70%, respectively. All images were processed in the software Pix4D Mapper (v. 4.8.4) using the standard 3D Maps workflow and the accurate geolocation and orientation calibration method to produce the multispectral orthophoto mosaic at a spatial resolution of 10 centimeters (cm). Images of a MicaSense calibrated reflectance panel were used for radiometric processing and calibration of each spectral band in the Index Calculator in Pix4D. A Leica Viva differential global positioning system (GPS) provided ground control for the mission and the data were post-processed to WGS84 UTM Zone 3 North.