cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc29yglb
title: CCDC 2143482: Experimental Crystal Structure Determination

description: Related Article: Ferran Esteve, Belén Altava, Eduardo García-Verdugo, Santiago V. Luis, Jean-Marie Lehn|2022|Chem (Cell Press)|8|2023|doi:10.1016/j.chempr.2022.04.007
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.cc29ygnd
title: CCDC 2143484: Experimental Crystal Structure Determination

description: Related Article: Ferran Esteve, Belén Altava, Eduardo García-Verdugo, Santiago V. Luis, Jean-Marie Lehn|2022|Chem (Cell Press)|8|2023|doi:10.1016/j.chempr.2022.04.007
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.cc29ygqg
title: CCDC 2143486: Experimental Crystal Structure Determination

description: Related Article: Ferran Esteve, Belén Altava, Eduardo García-Verdugo, Santiago V. Luis, Jean-Marie Lehn|2022|Chem (Cell Press)|8|2023|doi:10.1016/j.chempr.2022.04.007
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.cc29ygmc
title: CCDC 2143483: Experimental Crystal Structure Determination

description: Related Article: Ferran Esteve, Belén Altava, Eduardo García-Verdugo, Santiago V. Luis, Jean-Marie Lehn|2022|Chem (Cell Press)|8|2023|doi:10.1016/j.chempr.2022.04.007
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.cc29ygpf
title: CCDC 2143485: Experimental Crystal Structure Determination

description: Related Article: Ferran Esteve, Belén Altava, Eduardo García-Verdugo, Santiago V. Luis, Jean-Marie Lehn|2022|Chem (Cell Press)|8|2023|doi:10.1016/j.chempr.2022.04.007
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.cc2c28g6
title: CCDC 2176927: Experimental Crystal Structure Determination

description: Related Article: Aadil A. Ahangar, Ishtiyaq Ahmad, Aijaz A. Dar|2023|New J.Chem.|47|4775|doi:10.1039/D2NJ05306C
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.cc2c28h7
title: CCDC 2176928: Experimental Crystal Structure Determination

description: Related Article: Aadil A. Ahangar, Ishtiyaq Ahmad, Aijaz A. Dar|2023|New J.Chem.|47|4775|doi:10.1039/D2NJ05306C
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.cc2c28j8
title: CCDC 2176929: Experimental Crystal Structure Determination

description: Related Article: Aadil A. Ahangar, Ishtiyaq Ahmad, Aijaz A. Dar|2023|New J.Chem.|47|4775|doi:10.1039/D2NJ05306C
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.cc2c3zj0
title: CCDC 2178572: Experimental Crystal Structure Determination

description: Related Article: Akash Das, Moumita Saha, Subrata Mandal, Sanjib Das, Krishna Das Saha, Tapan K. Mondal|2023|New J.Chem.|47|4931|doi:10.1039/D3NJ00334E
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.cc2c3zk1
title: CCDC 2178573: Experimental Crystal Structure Determination

description: Related Article: Akash Das, Moumita Saha, Subrata Mandal, Sanjib Das, Krishna Das Saha, Tapan K. Mondal|2023|New J.Chem.|47|4931|doi:10.1039/D3NJ00334E
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.cc2d38c5
title: CCDC 2207676: Experimental Crystal Structure Determination

description: Related Article: Xiao Han, Puxin Cheng, Rongchao Shi, Yongshen Zheng, Siming Qi, Jialiang Xu, Xian-He Bu|2023|Materials Horizons|10|1005|doi:10.1039/D2MH01429G
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.cc2d38d6
title: CCDC 2207677: Experimental Crystal Structure Determination

description: Related Article: Xiao Han, Puxin Cheng, Rongchao Shi, Yongshen Zheng, Siming Qi, Jialiang Xu, Xian-He Bu|2023|Materials Horizons|10|1005|doi:10.1039/D2MH01429G
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.cc2d38f7
title: CCDC 2207678: Experimental Crystal Structure Determination

description: Related Article: Xiao Han, Puxin Cheng, Rongchao Shi, Yongshen Zheng, Siming Qi, Jialiang Xu, Xian-He Bu|2023|Materials Horizons|10|1005|doi:10.1039/D2MH01429G
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.cc2d38g8
title: CCDC 2207679: Experimental Crystal Structure Determination

description: Related Article: Xiao Han, Puxin Cheng, Rongchao Shi, Yongshen Zheng, Siming Qi, Jialiang Xu, Xian-He Bu|2023|Materials Horizons|10|1005|doi:10.1039/D2MH01429G
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.cc2d6dst
title: CCDC 2210696: Experimental Crystal Structure Determination

description: Related Article: Xiao Han, Puxin Cheng, Rongchao Shi, Yongshen Zheng, Siming Qi, Jialiang Xu, Xian-He Bu|2023|Materials Horizons|10|1005|doi:10.1039/D2MH01429G
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.cc2d7w7s
title: CCDC 2212105: Experimental Crystal Structure Determination

description: Related Article: Kuo-Hsien Chou, Tun-Hao Chen, Xian-Qing Huang, Chia-Sheng Huang, Chih-Hao Chang, Chien-Tien Chen, Jwo-Huei Jou|2023|Mat.Advs.|4|1335|doi:10.1039/D2MA00974A
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.cc2d7w8t
title: CCDC 2212106: Experimental Crystal Structure Determination

description: Related Article: Kuo-Hsien Chou, Tun-Hao Chen, Xian-Qing Huang, Chia-Sheng Huang, Chih-Hao Chang, Chien-Tien Chen, Jwo-Huei Jou|2023|Mat.Advs.|4|1335|doi:10.1039/D2MA00974A
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.cc2dcpxd
title: CCDC 2215784: Experimental Crystal Structure Determination

description: Related Article: Finn Schulz, Bianca Wank, Pierre Nacke, Wolfgang Frey, Sabine Laschat|2023|Mat.Advs.|4|1306|doi:10.1039/D2MA01055K
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.cc2dcpyf
title: CCDC 2215785: Experimental Crystal Structure Determination

description: Related Article: Finn Schulz, Bianca Wank, Pierre Nacke, Wolfgang Frey, Sabine Laschat|2023|Mat.Advs.|4|1306|doi:10.1039/D2MA01055K
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.cc2dcq0j
title: CCDC 2215787: Experimental Crystal Structure Determination

description: Related Article: Finn Schulz, Bianca Wank, Pierre Nacke, Wolfgang Frey, Sabine Laschat|2023|Mat.Advs.|4|1306|doi:10.1039/D2MA01055K
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.cc2dcq1k
title: CCDC 2215788: Experimental Crystal Structure Determination

description: Related Article: Finn Schulz, Bianca Wank, Pierre Nacke, Wolfgang Frey, Sabine Laschat|2023|Mat.Advs.|4|1306|doi:10.1039/D2MA01055K
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.cc2dcq2l
title: CCDC 2215789: Experimental Crystal Structure Determination

description: Related Article: Finn Schulz, Bianca Wank, Pierre Nacke, Wolfgang Frey, Sabine Laschat|2023|Mat.Advs.|4|1306|doi:10.1039/D2MA01055K
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: 10.6084/m9.figshare.22220898
title: Combining ground stability investigation with exploratory drilling for mine water geothermal energy development. Lessons from exploration and monitoring.

description: Supplementary information is available in this document
DOI: 10.6084/m9.figshare.22220898.v1
title: Combining ground stability investigation with exploratory drilling for mine water geothermal energy development. Lessons from exploration and monitoring.

description: Supplementary information is available in this document
DOI: 10.17909/9zgc-m183
title: Data from Y-dwarf multiplicity -- W0336

description: Data from JWST GO program #2473, a search for multiplicity of Y dwarfs in the solar neighborhood. Data was used in paper Calissendorff et al. (2023) to detect the Y+Y dwarf binary W0336.
DOI: 10.5281/zenodo.7702179
title: OPMD microstructure image data version 1.0

description: This data is used in the article "Towards Inverse Microstructure-Centered Materials Design using Generative Phase-field Modeling<br> and Deep Variational AutoEncoders" for building microstructure-sensitive materials design frameworks. Microstructure data provided here is generated using high-throughput phase-field modeling at Texas A&M University's Terra supercomputing facility. The dataset is called Open Phase-field Microstructure Dataset (OPMD) version 1.0 and it contains 20,000×40 or 80,000 computationally generated microstructure images that are obtained from 20,000 distinct phase-field simulations where 40 time sequences are saved from each simulation. This dataset is split into two equally-sized sets called proposal samples and target samples for the UP study that are generated via sampling from different probability density functions. Images are 1167x875 pixels with a Red-Green-Blue (RGB) color scheme, according to composition order. The extraction of QoI is performed using the original raw data. Images were further resized to 64×64 before feeding them into the encoder model. The microstructure dataset presents a diverse set of chemical spinodal morphologies. The images uploaded here are a small subset of the original data that is used to build the uncertainty propagation method. There are 6040 microstructures images in the attached folder. This data is extracted from the final time step of the phase-field solver. We carried out 10,000 simulations and omitted microstructures that did not show a dual-phase structure. As a result, 6,040 microstructures have been preserved. All of the raw data on which the results of the manuscript are based are publicly available via the OPMD website accessible via the https://microstructures.net link.
DOI: 10.5281/zenodo.7702178
title: OPMD microstructure image data version 1.0

description: This data is used in the article "Towards Inverse Microstructure-Centered Materials Design using Generative Phase-field Modeling<br> and Deep Variational AutoEncoders" for building microstructure-sensitive materials design frameworks. Microstructure data provided here is generated using high-throughput phase-field modeling at Texas A&M University's Terra supercomputing facility. The dataset is called Open Phase-field Microstructure Dataset (OPMD) version 1.0 and it contains 20,000×40 or 80,000 computationally generated microstructure images that are obtained from 20,000 distinct phase-field simulations where 40 time sequences are saved from each simulation. This dataset is split into two equally-sized sets called proposal samples and target samples for the UP study that are generated via sampling from different probability density functions. Images are 1167x875 pixels with a Red-Green-Blue (RGB) color scheme, according to composition order. The extraction of QoI is performed using the original raw data. Images were further resized to 64×64 before feeding them into the encoder model. The microstructure dataset presents a diverse set of chemical spinodal morphologies. The images uploaded here are a small subset of the original data that is used to build the uncertainty propagation method. There are 6040 microstructures images in the attached folder. This data is extracted from the final time step of the phase-field solver. We carried out 10,000 simulations and omitted microstructures that did not show a dual-phase structure. As a result, 6,040 microstructures have been preserved. All of the raw data on which the results of the manuscript are based are publicly available via the OPMD website accessible via the https://microstructures.net link.
DOI: 10.5281/zenodo.7702085
title: Dataset supporting the paper "Thioetherification of Br-Mercaptobiphenyl Molecules on Au(111). Nano Letters 23, 1350 (2023)"

description: Dataset corresponding to theoretical calculations in the paper "Thioetherification of Br-Mercaptobiphenyl Molecules on Au(111). Nano Letters 23, 1350 (2023)" DOI: https://doi.org/10.1021/acs.nanolett.2c04619 List of files: Several folders corresponding to the figures of the paper. They contain: .dat files: STM images simulated using STMpw (https://doi.org/10.5281/zenodo.3581159). They can be processed with the programs and scripts in the Utils directory of STMpw. CONTCAR files: relaxed structures in VASP format. They can be visualized with VESTA (https://jp-minerals.org/vesta/en/). .agr: grace files (https://plasma-gate.weizmann.ac.il/Grace/).
description: {"references": ["Nicol\u00e1s Lorente, Roberto Robles. (2019). STMpw (v1.0b2). Zenodo. https://doi.org/10.5281/zenodo.3581159"]}
DOI: 10.5281/zenodo.7702084
title: Dataset supporting the paper "Thioetherification of Br-Mercaptobiphenyl Molecules on Au(111). Nano Letters 23, 1350 (2023)"

description: Dataset corresponding to theoretical calculations in the paper "Thioetherification of Br-Mercaptobiphenyl Molecules on Au(111). Nano Letters 23, 1350 (2023)" DOI: https://doi.org/10.1021/acs.nanolett.2c04619 List of files: Several folders corresponding to the figures of the paper. They contain: .dat files: STM images simulated using STMpw (https://doi.org/10.5281/zenodo.3581159). They can be processed with the programs and scripts in the Utils directory of STMpw. CONTCAR files: relaxed structures in VASP format. They can be visualized with VESTA (https://jp-minerals.org/vesta/en/). .agr: grace files (https://plasma-gate.weizmann.ac.il/Grace/).
description: {"references": ["Nicol\u00e1s Lorente, Roberto Robles. (2019). STMpw (v1.0b2). Zenodo. https://doi.org/10.5281/zenodo.3581159"]}
DOI: 10.5281/zenodo.7700145
title: Global-Chem Raw Data Volume 1

description: Global-Chem Raw Data Official Release Volume 1. Table data headlines are: <strong>Chemical Name</strong> - Common Chemical Name Recorded in The Dictionary <strong>Molecule</strong>: SMILES representation of the molecule <strong>Node:</strong> Node that the molecule belongs too. <strong>Node Path:</strong> Node Path of the Graph Network
DOI: 10.5281/zenodo.7700144
title: Global-Chem Raw Data Volume 1

description: Global-Chem Raw Data Official Release Volume 1. Table data headlines are: <strong>Chemical Name</strong> - Common Chemical Name Recorded in The Dictionary <strong>Molecule</strong>: SMILES representation of the molecule <strong>Node:</strong> Node that the molecule belongs too. <strong>Node Path:</strong> Node Path of the Graph Network
DOI: 10.35078/6opziw
title: Replication Data for: Ficha epidemiológica de localidade: Distrito: Montes Claros| Município: Engenheiro Navarro

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: 10.6073/pasta/a7cc9bd50057c171357f835d37ce0c5d
title: Phenotypic trait variation of Herminium monorchis in the Qinghai-Tibetan Plateau with grazing intensity and climatic conditions

description: This data set contains raw data supporting the research entitled “Livestock grazing outweighs climate in driving trait variation of a widespread alpine plant” (currently under peer review), which documents how phenotypic traits of a widespread herbaceous plant in the Qinghai-Tibetan Plateau, Herminium monorchis, vary with grazing intensity and environmental conditions.
DOI: 10.25612/837.m51q21ojnny9
title: Public Crash Data Extract from TxDOT (2022) - City of Houston

description: Crash records for the City of Houston, including crash type, date/time, roadway system, speed limit, roadway type, geographic information, crash severity, and day of the week.
DOI: 10.25612/837.ew11n6xrx26z
title: Percent of City of Houston Area by Census Tract and Community Tabulation Area

description: The percentages of census tracts or community tabulation areas within the City of Houston (COH).
DOI: 10.21227/w0v9-5e35
title: Industrial UWB localization dataset containing Channel Impulse Response data (CIRs).

description: This dataset contains CIRs from 23 different positions in an industrial environment, as illustrated in the picture.

These originate from a tag-anchor pair configured with two-way-ranging for distance estimations. In total, 21 anchors are placed in the area, allowing both Line-of-Sight (LOS) and Non-LOS (NLOS) signal propagation, as illustrated in the picture.

The aim during the data collection proces was to measure UWB ranging errors in (N)LOS environments. As such, the ground truth of each position was measured using a laser.