cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2ck74b
title: CCDC 2191301: Experimental Crystal Structure Determination

description: Related Article: Julia Krüger, Christoph Wölper, Stephan Schulz|2022|Organometallics|41|3788|doi:10.1021/acs.organomet.2c00515
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.cc2cmh2l
title: CCDC 2193469: Experimental Crystal Structure Determination

description: Related Article: Chen-Yen Tsai, Min-Chia Huang, Mei-Ling Lin, Yu-Chia Su, Chu-Chieh Lin|2022|Inorg.Chem.|61|19870|doi:10.1021/acs.inorgchem.2c03094
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.7352482
title: PROGpedia

description: This dataset consists of the submissions to 16 programming exercises in Mooshak proposed in multiple years within the 2003-2020 timespan to undergraduate Computer Science students at the Faculty of Sciences from the University of Porto. In particular, we extract their code property graphs and store them as CSV files along with the source code. The analysis of this data can enable, for instance, the generation of more concise and personalized feedback based on similar accepted submissions in the past, the identification of different strategies to solve a problem, and the understanding of a student's thinking process, among many other findings.
DOI: 10.25318/9810049301-eng
title: Place of work status by occupation broad category, work activity during the reference year, age and gender: Canada, provinces and territories, census divisions and census subdivisions of work

description: Data on place of work status by occupation broad category (1-digit code) from the National Occupational Classification (NOC) 2021, work activity during the reference year, age and gender for Canada, provinces and territories, census divisions and census subdivisions of work.
DOI: 10.25318/9810049301-fra
title: Catégorie du lieu de travail selon la grande catégorie des professions, le travail pendant l'année de référence, l'âge et le genre : Canada, provinces et territoires, divisions de recensement et subdivisions de recensement du lieu de travail

description: Données sur la catégorie du lieu de travail selon la grande catégorie des professions (code à 1 chiffre) de la Classification nationale des professions (CNP) de 2021, le travail pendant l'année de référence, l'âge et le genre pour le Canada, les provinces et territoires, les divisions de recensement et les subdivisions de recensement du lieu de travail.
DOI: 10.5281/zenodo.7352481
title: PROGpedia

description: This dataset consists of the submissions to 16 programming exercises in Mooshak proposed in multiple years within the 2003-2020 timespan to undergraduate Computer Science students at the Faculty of Sciences from the University of Porto. In particular, we extract their code property graphs and store them as CSV files along with the source code. The analysis of this data can enable, for instance, the generation of more concise and personalized feedback based on similar accepted submissions in the past, the identification of different strategies to solve a problem, and the understanding of a student's thinking process, among many other findings.
DOI: 10.25318/9810046201-eng
title: Commuting destination by main mode of commuting, age and gender: Canada, provinces and territories, census divisions and census subdivisions

description: Data on the commuting destination by main mode of commuting, age and gender. Commuting destination refers to whether or not a person commutes to another census subdivision, another census division or another province or territory.
DOI: 10.25318/9810046201-fra
title: Destination du navettage selon le principal mode de transport pour la navette, l'âge et le genre : Canada, provinces et territoires, divisions de recensement et subdivisions de recensement

description: Données sur la destination du navettage selon le principal mode de transport pour la navette, l'âge et le genre. Destination du navettage indique si une personne effectue ou non le déplacement jusqu'à une autre subdivision de recensement, une autre division de recensement ou une autre province ou territoire.
DOI: 10.6084/m9.figshare.3761562.v2427
title: Online Labour Index: Measuring the Online Gig Economy for Policy and Research

description: Data repository for the data underlying the Online Labour Index. See http://ilabour.oii.ox.ac.uk online-labour-index/ for details.
DOI: 10.57833/cidacs/urkssf
title: Indicadores socioeconômicos e demográficos por município - 2010

description: Este conjunto de dados abrange informações demográficas e socioeconômicas sobre os municípios brasileiros, tais como, (PIB, IDHM, Renda Gini, Analfabetismo, Desemprego, Saneamento Básico, etc. Foram obtidos a partir do Censo Demográfico 2010 do IBGE, extraídos do Sistema IBGE de Recuperação Automática – SIDRA, da ferramenta TabNet do DATASUS e do Atlas do Desenvolvimento Humano no Brasil do Programa das Nações Unidas para o Desenvolvimento (PNUD) em parceria com instituições brasileiras.
DOI: 10.5281/zenodo.6322943
title: Photophysiological response of autumn phytoplankton in the Antarctic Sea-Ice Zone

description: The datasets in this repository are part of the manuscript entitled "<strong>Photophysiological response of autumn phytoplankton in the Antarctic Sea-Ice Zone</strong>".
DOI: 10.5281/zenodo.6322942
title: Photophysiological response of autumn phytoplankton in the Antarctic Sea-Ice Zone

description: The datasets in this repository are part of the manuscript entitled "<strong>Photophysiological response of autumn phytoplankton in the Antarctic Sea-Ice Zone</strong>".
DOI: 10.6084/m9.figshare.21320829
title: Data File 8.csv

description: Measurement of water vapor production using the WMS 2f/1f TDL sensor during the in situ combustion of a Colombian heavy oil. The figure also shows CO2, CO, and O2 concentrations as measured downstream by a gas analyzer
DOI: 10.6084/m9.figshare.21320829.v1
title: Data File 8.csv

description: Measurement of water vapor production using the WMS 2f/1f TDL sensor during the in situ combustion of a Colombian heavy oil. The figure also shows CO2, CO, and O2 concentrations as measured downstream by a gas analyzer
DOI: 10.6084/m9.figshare.21320835
title: Data File 6.csv

description: Variation of the H2O mole fraction when measuring air at room conditions. Three tests carried out at different times are presented. The variations agreed with those expected from an uncontrolled atmosphere
DOI: 10.6084/m9.figshare.21320835.v1
title: Data File 6.csv

description: Variation of the H2O mole fraction when measuring air at room conditions. Three tests carried out at different times are presented. The variations agreed with those expected from an uncontrolled atmosphere
DOI: 10.6084/m9.figshare.21320838.v1
title: Data File 2.csv

description: Thermal sensitivity of the line at 3934.10 cm-1 that was selected for the measurement of the H2O concentration at conditions relevant to ISC experiments
DOI: 10.6084/m9.figshare.21320862.v1
title: Data File 7.csv

description: Measured variation of the H2O in the reactor when a stream of N2 with a known water concentration was diluted with N2. The flow of the dilution stream was increased at 3250 s, 4000 s, and 4950 s.
DOI: 10.6084/m9.figshare.21320856
title: Data File 1.csv

description: Calculated absorbance spectra of H2O, CO, and CO2 near 3934.10 cm-1. The figure legend indicates the mole fraction composition, temperature (T), pressure (P), and pathlength (L) used in the simulation.
DOI: 10.6084/m9.figshare.21320856.v1
title: Data File 1.csv

description: Calculated absorbance spectra of H2O, CO, and CO2 near 3934.10 cm-1. The figure legend indicates the mole fraction composition, temperature (T), pressure (P), and pathlength (L) used in the simulation.
DOI: 10.6084/m9.figshare.21320862
title: Data File 7.csv

description: Measured variation of the H2O in the reactor when a stream of N2 with a known water concentration was diluted with N2. The flow of the dilution stream was increased at 3250 s, 4000 s, and 4950 s.
DOI: 10.6084/m9.figshare.21320865.v1
title: Data File 3.csv

description: Comparison of the measured and simulated laser signal after a preliminary fit of the parameters in the Airy function to determine the initial parameters of the time-dependent laser frequency ν(t).
DOI: 10.6084/m9.figshare.21320838
title: Data File 2.csv

description: Thermal sensitivity of the line at 3934.10 cm-1 that was selected for the measurement of the H2O concentration at conditions relevant to ISC experiments
DOI: 10.6084/m9.figshare.21320865
title: Data File 3.csv

description: Comparison of the measured and simulated laser signal after a preliminary fit of the parameters in the Airy function to determine the initial parameters of the time-dependent laser frequency ν(t).
DOI: 10.6084/m9.figshare.21320868
title: Data File 4.csv

description: Comparison of the measured and simulated laser signal after the final fine-tuning of the parameters in the Airy function of the time-dependent laser frequency ν(t).
DOI: 10.6084/m9.figshare.21320868.v1
title: Data File 4.csv

description: Comparison of the measured and simulated laser signal after the final fine-tuning of the parameters in the Airy function of the time-dependent laser frequency ν(t).
DOI: 10.6084/m9.figshare.21320871
title: Data File 5.csv

description: Comparison of the simulated and measured WMS 2f/1f signals. The red signal can now be used to infer the water concentration
DOI: 10.6084/m9.figshare.21320871.v1
title: Data File 5.csv

description: Comparison of the simulated and measured WMS 2f/1f signals. The red signal can now be used to infer the water concentration
DOI: 10.25625/vmy3wd/pgqdim
title: ahlrichs vtz (3df,2d).orca

description: Custom VTZ(3df,2d) basis set for Orca
DOI: 10.25625/vmy3wd/z4z2gy
title: Singlepoint.7z

description: orca outputfils for single point calculations
DOI: 10.25625/vmy3wd/se90bb
title: ST2-OptMARD-Acetylene.tab

description: :unav
DOI: 10.25625/vmy3wd/isfimg
title: ST4-OptMARD-HCl.tab

description: :unav
DOI: 10.25625/vmy3wd/mzvcai
title: ST5-OptMARD-metals.tab

description: :unav
DOI: 10.25625/vmy3wd/yhyjej
title: ST3-OptMARD-CF3Cl.tab

description: :unav
DOI: 10.25625/vmy3wd/ivw3l1
title: ST1-OptMARD.tab

description: :unav
DOI: 10.25625/vmy3wd/pc2ero
title: chlorine_eQq_benchmark_supplement.pdf

description: ReadMe. Main supplemental material containing supplemental figures and explanations for other files in the dataverse.
DOI: 10.25625/vmy3wd/rv5lf7
title: Optimisation.7z

description: orca output files of all optimizations
DOI: 10.25625/vmy3wd
title: Supplemental for Benchmarking the quadrupolar coupling tensor for chlorine to probe weak-bonding interactions

description: Output files of all calculations for the publication 'Benchmarking the quadrupolar coupling tensor for chlorine to probe weak-bonding interactions' Contains raw output files, data table and custom basis set for Orca.
DOI: 10.5281/zenodo.7448982
title: Cowpea drought stress application at early vegetative stage 2022 - screen 02 - day 10 - raw image data

description: Cowpea (<em>Vigna unguiculata</em>) miniCore accessions were screened for responses to drought stress at early vegetative stress. The cowpea seedlings were exposed to drought stress at 17 days after germination using the weight of the pot and AAWEsmo device, developed in Julkowska Lab, Boyce Thompson Institute. The seedlings were kept at 60 and 10% of soil water holding capacity for 2 weeks and the data on cowpea shoot size, evapotranspiration and photosystem II efficiency was collected. This dataset represents the images collected for Screen number 02 and day 10 after drought stress application.
DOI: 10.5281/zenodo.7448981
title: Cowpea drought stress application at early vegetative stage 2022 - screen 02 - day 10 - raw image data

description: Cowpea (<em>Vigna unguiculata</em>) miniCore accessions were screened for responses to drought stress at early vegetative stress. The cowpea seedlings were exposed to drought stress at 17 days after germination using the weight of the pot and AAWEsmo device, developed in Julkowska Lab, Boyce Thompson Institute. The seedlings were kept at 60 and 10% of soil water holding capacity for 2 weeks and the data on cowpea shoot size, evapotranspiration and photosystem II efficiency was collected. This dataset represents the images collected for Screen number 02 and day 10 after drought stress application.
DOI: 10.5517/ccdc.csd.cc2cmh5p
title: CCDC 2193472: Experimental Crystal Structure Determination

description: Related Article: Chen-Yen Tsai, Min-Chia Huang, Mei-Ling Lin, Yu-Chia Su, Chu-Chieh Lin|2022|Inorg.Chem.|61|19870|doi:10.1021/acs.inorgchem.2c03094
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.cc2cy44m
title: CCDC 2202740: Experimental Crystal Structure Determination

description: Related Article: Jabed Hossain, Jishnu Sai Gopinath, Srinu Tothadi, Pattiyil Parameswaran, Shabana Khan|2022|Organometallics|41|3706|doi:10.1021/acs.organomet.2c00480
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.cc2cyxz7
title: CCDC 2203510: Experimental Crystal Structure Determination

description: Related Article: Jabed Hossain, Jishnu Sai Gopinath, Srinu Tothadi, Pattiyil Parameswaran, Shabana Khan|2022|Organometallics|41|3706|doi:10.1021/acs.organomet.2c00480
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.cc2cyy09
title: CCDC 2203511: Experimental Crystal Structure Determination

description: Related Article: Jabed Hossain, Jishnu Sai Gopinath, Srinu Tothadi, Pattiyil Parameswaran, Shabana Khan|2022|Organometallics|41|3706|doi:10.1021/acs.organomet.2c00480
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.cc2c0gyt
title: CCDC 2175206: Experimental Crystal Structure Determination

description: Related Article: Christopher D. Wight, Qifan Xiao, Holden R. Wagner, Eduardo A. Hernandez, Elizabeth Martin, Vincent M. Lynch, Brent L. Iverson|2022|Cryst.Growth Des.|22|7363|doi:10.1021/acs.cgd.2c00977
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.cc2c0gzv
title: CCDC 2175207: Experimental Crystal Structure Determination

description: Related Article: Christopher D. Wight, Qifan Xiao, Holden R. Wagner, Eduardo A. Hernandez, Elizabeth Martin, Vincent M. Lynch, Brent L. Iverson|2022|Cryst.Growth Des.|22|7363|doi:10.1021/acs.cgd.2c00977
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.cc2c0h1y
title: CCDC 2175209: Experimental Crystal Structure Determination

description: Related Article: Christopher D. Wight, Qifan Xiao, Holden R. Wagner, Eduardo A. Hernandez, Elizabeth Martin, Vincent M. Lynch, Brent L. Iverson|2022|Cryst.Growth Des.|22|7363|doi:10.1021/acs.cgd.2c00977
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.cc2d1p7d
title: CCDC 2206153: Experimental Crystal Structure Determination

description: Related Article: Alexandra F. Gittens, Qifeng Jiang, Maxime A. Siegler, Rebekka S. Klausen|2022|Organometallics|41|3762|doi:10.1021/acs.organomet.2c00501
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.cc2d1p8f
title: CCDC 2206154: Experimental Crystal Structure Determination

description: Related Article: Alexandra F. Gittens, Qifeng Jiang, Maxime A. Siegler, Rebekka S. Klausen|2022|Organometallics|41|3762|doi:10.1021/acs.organomet.2c00501
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.cc2d1p9g
title: CCDC 2206155: Experimental Crystal Structure Determination

description: Related Article: Alexandra F. Gittens, Qifeng Jiang, Maxime A. Siegler, Rebekka S. Klausen|2022|Organometallics|41|3762|doi:10.1021/acs.organomet.2c00501
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.cc2d5kfl
title: CCDC 2209879: Experimental Crystal Structure Determination

description: Related Article: Alexandra F. Gittens, Qifeng Jiang, Maxime A. Siegler, Rebekka S. Klausen|2022|Organometallics|41|3762|doi:10.1021/acs.organomet.2c00501
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.cc2d61pc
title: CCDC 2210352: Experimental Crystal Structure Determination

description: Related Article: Juanjuan Wang, Hong Lu, Yi He, Chunxiu Jing, Hao Wei|2022|J.Am.Chem.Soc.|144|22433|doi:10.1021/jacs.2c10570
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.cc2d61qd
title: CCDC 2210353: Experimental Crystal Structure Determination

description: Related Article: Juanjuan Wang, Hong Lu, Yi He, Chunxiu Jing, Hao Wei|2022|J.Am.Chem.Soc.|144|22433|doi:10.1021/jacs.2c10570
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.cc2d86d9
title: CCDC 2212420: Experimental Crystal Structure Determination

description: Related Article: Yu Zhang, Sihao Ling, Pinyi Li, Zhengkai Chen, Xiao-Feng Wu|2022|Org.Lett.|24|8864|doi:10.1021/acs.orglett.2c03666
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.cc2blb6h
title: CCDC 2162566: Experimental Crystal Structure Determination

description: Related Article: Katie Eastham, Paul A. Scattergood, Danny Chu, Rayhaan Z. Boota, Adrien Soupart, Fabienne Alary, Isabelle M. Dixon, Craig R. Rice, Samantha J. O. Hardman, Paul I. P. Elliott|2022|Inorg.Chem.|61|19907|doi:10.1021/acs.inorgchem.2c03146
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.cc2ch6y1
title: CCDC 2189373: Experimental Crystal Structure Determination

description: Related Article: Maxim A. Faraonov, Alexey V. Kuzmin, Salavat S. Khasanov, Alexander F. Shestakov, Akihiro Otsuka, Hideki Yamochi, Hiroshi Kitagawa, Dmitri V. Konarev|2022|Inorg.Chem.|61|20144|doi:10.1021/acs.inorgchem.2c03595
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.