cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.11583/dtu.16621918
title: Optimized electronic structures of N2 + 3H2 to NH3 reaction mechanism steps on Li4RuH6 catalyst

description: These optimized electronic structures are part of our nature catalysis publication where we have studied the reaction mechanism path of NH<sub>3</sub> formation from gaseous N<sub>2</sub> and H<sub>2</sub> via Li<sub>4</sub>RuH<sub>6</sub> catalyst. Our study shows that adsorption and hydrogenation of N<sub>2</sub> to NH<sub>3</sub> on Li<sub>4</sub>RuH<sub>6</sub> catalyst happens through associative mechanism in 13 reaction steps (Step-0 to Step-12).
DOI: 10.11583/dtu.16621918.v1
title: Optimized electronic structures of N2 + 3H2 to NH3 reaction mechanism steps on Li4RuH6 catalyst

description: These optimized electronic structures are part of our nature catalysis publication where we have studied the reaction mechanism path of NH<sub>3</sub> formation from gaseous N<sub>2</sub> and H<sub>2</sub> via Li<sub>4</sub>RuH<sub>6</sub> catalyst. Our study shows that adsorption and hydrogenation of N<sub>2</sub> to NH<sub>3</sub> on Li<sub>4</sub>RuH<sub>6</sub> catalyst happens through associative mechanism in 13 reaction steps (Step-0 to Step-12).
DOI: 10.11583/dtu.15156207
title: Sandeel survey 2019

description: The purpose of the sand eel dredge survey is to collect sand eels buried in the seabed and compare catches (number and age composition) with the previous year's collections to assess the year class strength of sand eel in area 1r, 2r and 3r of the different areas adopted by ICES in 2016. Data from the dredge survey is the basis for calculating an index, which is used in the stock assessment for sand eel in the North Sea.
DOI: 10.11583/dtu.15156207.v1
title: Sandeel survey 2019

description: The purpose of the sand eel dredge survey is to collect sand eels buried in the seabed and compare catches (number and age composition) with the previous year's collections to assess the year class strength of sand eel in area 1r, 2r and 3r of the different areas adopted by ICES in 2016. Data from the dredge survey is the basis for calculating an index, which is used in the stock assessment for sand eel in the North Sea.
DOI: 10.2908/tgs00002
title: Total and land area by NUTS 2 region
title: Superficie totale et superficie terrestre par région NUTS 2
title: Gesamtfläche und Landfläche nach NUTS-2-Region

description: Für die Berechnung der Bevölkerungsdichte sollte möglichst die Landfläche (ausschließlich Binnengewässer wie Seen oder Flüsse) benutzt werden. In mehreren Ländern muss die Gesamtfläche einschließlich der Fläche von Binnenseen und Flüssen verwendet werden, weil nur für dieses Flächenkonzept Daten vorhanden sind.
description: Total area represents the total area of the region including inland waters; it is expressed in km2. Land area represents the total land area of the region, excluding the area under inland water; it is expressed in km2.
description: Pour le calcul de la densité de la population, on utilise le concept de superficie terrestre (excluant les eaux intérieures comme les lacs ou fleuves) partout où il est disponible. Dans plusieurs pays, on utilise la superficie totale, incluant la superficie des lacs et des fleuves, par ce que c'est le seul concept pour lequel des données sont disponibles.
DOI: 10.2908/tps00011
title: Women per 100 men
title: Nombre de femmes pour 100 hommes
title: Frauen je 100 Männer

description: Verhältnis der Anzahl der Frauen zur Anzahl der Männer, multipliziert mit 100.
description: The ratio of the number of women compared to the number of men, multiplied by 100.
description: La proportion du nombre de femmes par rapport au nombre d’hommes, multipliée par 100.
DOI: 10.2908/tps00018
title: Share of live births outside marriage
title: Part des naissances vivantes hors mariage
title: Nichtehelich Lebendgeborene

description: Geburten, bei denen der Familienstand der Mutter zum Zeitpunkt der Geburt ein anderer ist als verheiratet.
description: Live births, where the mother's marital status at the time of birth is other than married.
description: Naissances vivantes pour lesquelles l'état matrimonial de la mère au moment de l'accouchement est différent de "Mariée".
DOI: 10.2908/tps00026
title: Life expectancy at age 65, by sex
title: Espérance de vie à 65 ans, par sexe
title: Lebenserwartung mit 65 Jahren, nach Geschlecht

description: Die mittlere Anzahl der Jahre, die ein Mann oder eine Frau, die 65 Jahren erreicht hat, leben kann, wenn die zu diesem Zeitpunkt bestehenden Sterbebedingungen während der verbleibenden Lebensdauer dieser Person bestehen bleiben (altersspezifische Sterbewahrscheinlichkeit).
description: The mean number of years still to be lived by a man or a woman who has reached the age 65, if subjected throughout the rest of his or her life to the current mortality conditions (age-specific probabilities of dying).
description: Nombre moyen d'années qu'il reste à vivre à un homme ou une femme ayant atteint l'âge de 65 ans s'il se trouve tout au long du reste de sa vie dans les conditions de mortalité du moment (quotients de mortalité par âge).
DOI: 10.6084/m9.figshare.23694702
title: W111G_VUS

description: A total of 213 PTEN missense variants comprising of 147 VUS, 54 ClinVar Pathogenic and 12 Benign variants were selected for classification utilizing the MD simulations study.
DOI: 10.6084/m9.figshare.23694702.v1
title: W111G_VUS

description: A total of 213 PTEN missense variants comprising of 147 VUS, 54 ClinVar Pathogenic and 12 Benign variants were selected for classification utilizing the MD simulations study.
DOI: 10.5281/zenodo.8146539
title: Supplementary data for multidimensional drivers of mercury distribution in global surface soils

description: Global distribution of Hg in surface soils predicted by a machine learning method. Random forest modeling. Latitude 1 degree by longitude 1 degree.
DOI: 10.5281/zenodo.8146538
title: Supplementary data for multidimensional drivers of mercury distribution in global surface soils

description: Global distribution of Hg in surface soils predicted by a machine learning method. Random forest modeling. Latitude 1 degree by longitude 1 degree.
DOI: 10.6084/m9.figshare.23618931
title: A ~200-year relative sea-level reconstruction from the Wellington region (New Zealand) reveals insights into vertical land movement trends

description: Dataset associated with the manuscript: A ~200-year relative sea-level reconstruction from the Wellington region (New Zealand) reveals insights into vertical land movement trends. Submitted to Marine Geology. <br> pdf containing surface and down-core foraminiferal assemblage data relative to elevation and core depth from Pauatahanui salt marsh, Pb and Cs isotope data from core PauM1, transfer function outputs, and rPlum age model outputs.
DOI: 10.11583/dtu.12581615
title: TopWingData

description: This data set contains the STL files presented in the Nature publication: <br>Aage, N., Andreassen, E., Lazarov, B. S., & Sigmund, O. (2017). Giga-voxel computational morphogenesis for structural design. <i>Nature</i>, <i>550</i>(7674), 84–86. https://doi.org/10.1038/nature23911
DOI: 10.11583/dtu.12581615.v1
title: TopWingData

description: This data set contains the STL files presented in the Nature publication: <br>Aage, N., Andreassen, E., Lazarov, B. S., & Sigmund, O. (2017). Giga-voxel computational morphogenesis for structural design. <i>Nature</i>, <i>550</i>(7674), 84–86. https://doi.org/10.1038/nature23911
DOI: 10.11583/dtu.14706066
title: Collection of real-life stories on occupant-building interaction

description: This dataset was collected as part of an industrial PhD project between Saint-Gobain Nordic A/S and the Technical University of Denmark conducted by Lucile Sarran, under the supervision of Carsten Rode, Christian Hviid, Jakub Kolarik and Elisabeth Wærsted.<br>This work was carried out in the context of the International Energy Agency's EBC Annex 79: Occupant-Centric Building Design and Operation: https://annex79.iea-ebc.org/. It is the result of the cross-subtask activity C.7 co-led by Lucile Sarran (DTU, lucjsar@byg.dtu.dk) and Connor Brackley (Concordia University, connor.brackley@mail.concordia.ca). Please contact Connor Brackley for more information or improvement suggestions.<br>Please cite as: Sarran, Lucile; Brackley, Connor (2021): Collection of real-life stories on occupant-building interaction. Dataset. https://doi.org/10.11583/DTU.14706066. This work is licensed under CC-BY version 4.0.<br>This activity focused on identifying human-related drivers of occupant dissatisfaction in buildings, by asking researchers around the world to describe unexpected occupant behaviors observed in their research projects. Therefore a series of prompts was developed with the aim to stimulate storytelling among researchers. A board containing these prompts was created on Miro, an online platform based on sticky notes. In a first phase, the link to the board was distributed to Annex 79 participants:18 stories were collected and included in a pilot study.<br>The prompts were:· “My story takes place in...”: building-related information (type, number of buildings, location) · “The technology or building system...”: e.g., ventilation, smart thermostats, new controls · “Was this an existing system or did you implement it?” · “The goal with the technology/building system was to...” original aim of the technology · “In real conditions, what happened was...”- the unexpected human-building interaction · “Because...” – researcher’s interpretation of the events · “What is this interpretation based on?...” - e.g. sensor data, observations, personal experience · “What we can learn from this story, and what should be done...” - lessons learned and best practice suggestions.<br>Two documents have been uploaded: (1) a high-resolution picture (in PDF format) of the data collection tool, together with the 18 research stories included in the pilot study; (2) a CSV file containing the data from the 18 stories.<br><br>An article presenting the methodology and the results of this story collection was submitted to the IAQ 2020 conference, postponed to 2022.<br>
DOI: 10.11583/dtu.14706066.v1
title: Collection of real-life stories on occupant-building interaction

description: This dataset was collected as part of an industrial PhD project between Saint-Gobain Nordic A/S and the Technical University of Denmark conducted by Lucile Sarran, under the supervision of Carsten Rode, Christian Hviid, Jakub Kolarik and Elisabeth Wærsted.<br>This work was carried out in the context of the International Energy Agency's EBC Annex 79: Occupant-Centric Building Design and Operation: https://annex79.iea-ebc.org/. It is the result of the cross-subtask activity C.7 co-led by Lucile Sarran (DTU, lucjsar@byg.dtu.dk) and Connor Brackley (Concordia University, connor.brackley@mail.concordia.ca). Please contact Connor Brackley for more information or improvement suggestions.<br>Please cite as: Sarran, Lucile; Brackley, Connor (2021): Collection of real-life stories on occupant-building interaction. Dataset. https://doi.org/10.11583/DTU.14706066. This work is licensed under CC-BY version 4.0.<br>This activity focused on identifying human-related drivers of occupant dissatisfaction in buildings, by asking researchers around the world to describe unexpected occupant behaviors observed in their research projects. Therefore a series of prompts was developed with the aim to stimulate storytelling among researchers. A board containing these prompts was created on Miro, an online platform based on sticky notes. In a first phase, the link to the board was distributed to Annex 79 participants:18 stories were collected and included in a pilot study.<br>The prompts were:· “My story takes place in...”: building-related information (type, number of buildings, location) · “The technology or building system...”: e.g., ventilation, smart thermostats, new controls · “Was this an existing system or did you implement it?” · “The goal with the technology/building system was to...” original aim of the technology · “In real conditions, what happened was...”- the unexpected human-building interaction · “Because...” – researcher’s interpretation of the events · “What is this interpretation based on?...” - e.g. sensor data, observations, personal experience · “What we can learn from this story, and what should be done...” - lessons learned and best practice suggestions.<br>Two documents have been uploaded: (1) a high-resolution picture (in PDF format) of the data collection tool, together with the 18 research stories included in the pilot study; (2) a CSV file containing the data from the 18 stories.<br><br>An article presenting the methodology and the results of this story collection was submitted to the IAQ 2020 conference, postponed to 2022.<br>
DOI: 10.5517/ccdc.csd.cc2dn1lq
title: CCDC 2223803: Experimental Crystal Structure Determination

description: Related Article: Yutaro Machida, Yudai Tanaka, Yuya Masuda, Aya Kimura, Tsuneomi Kawasaki|2023|Chemical Science|14|4480|doi:10.1039/D3SC00359K
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.cc2dn1mr
title: CCDC 2223804: Experimental Crystal Structure Determination

description: Related Article: Yutaro Machida, Yudai Tanaka, Yuya Masuda, Aya Kimura, Tsuneomi Kawasaki|2023|Chemical Science|14|4480|doi:10.1039/D3SC00359K
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.cc2dn1ns
title: CCDC 2223805: Experimental Crystal Structure Determination

description: Related Article: Yutaro Machida, Yudai Tanaka, Yuya Masuda, Aya Kimura, Tsuneomi Kawasaki|2023|Chemical Science|14|4480|doi:10.1039/D3SC00359K
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.cc2dn1pt
title: CCDC 2223806: Experimental Crystal Structure Determination

description: Related Article: Yutaro Machida, Yudai Tanaka, Yuya Masuda, Aya Kimura, Tsuneomi Kawasaki|2023|Chemical Science|14|4480|doi:10.1039/D3SC00359K
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.cc2dn1qv
title: CCDC 2223807: Experimental Crystal Structure Determination

description: Related Article: Yutaro Machida, Yudai Tanaka, Yuya Masuda, Aya Kimura, Tsuneomi Kawasaki|2023|Chemical Science|14|4480|doi:10.1039/D3SC00359K
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.cc2ff2wv
title: CCDC 2246907: Experimental Crystal Structure Determination

description: Related Article: D. Christopher Braddock, Ben M. J. Lancaster, Christopher J. Tighe, Andrew J. P. White|2023|J.Org.Chem.|88|8904|doi:10.1021/acs.joc.3c00672
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.cc2ff2vt
title: CCDC 2246906: Experimental Crystal Structure Determination

description: Related Article: D. Christopher Braddock, Ben M. J. Lancaster, Christopher J. Tighe, Andrew J. P. White|2023|J.Org.Chem.|88|8904|doi:10.1021/acs.joc.3c00672
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.cc2ff2xw
title: CCDC 2246908: Experimental Crystal Structure Determination

description: Related Article: D. Christopher Braddock, Ben M. J. Lancaster, Christopher J. Tighe, Andrew J. P. White|2023|J.Org.Chem.|88|8904|doi:10.1021/acs.joc.3c00672
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.cc2ff2yx
title: CCDC 2246909: Experimental Crystal Structure Determination

description: Related Article: D. Christopher Braddock, Ben M. J. Lancaster, Christopher J. Tighe, Andrew J. P. White|2023|J.Org.Chem.|88|8904|doi:10.1021/acs.joc.3c00672
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.cc2ff2zy
title: CCDC 2246910: Experimental Crystal Structure Determination

description: Related Article: D. Christopher Braddock, Ben M. J. Lancaster, Christopher J. Tighe, Andrew J. P. White|2023|J.Org.Chem.|88|8904|doi:10.1021/acs.joc.3c00672
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.cc2ftnnl
title: CCDC 2258990: Experimental Crystal Structure Determination

description: Related Article: Kaimin Wang, Xuling Bai, Xiong Zhao, Yanqiu Dong, Ruiting Zhao, Jie Zhou, Hongmei Yu, Lifeng Li, Huaijun Tang, Yulu Ma|2023|J.Mol.Struct.|1292|136114|doi:10.1016/j.molstruc.2023.136114
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.cc2g3fkl
title: CCDC 2267419: Experimental Crystal Structure Determination

description: Related Article: I.F. McClements, C.R. Wiesler, J.M. Tanski|2023|Acta Crystallogr.,Sect.E:Cryst.Commun.|79|678|doi:10.1107/S2056989023005480
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.cc2g3fmn
title: CCDC 2267421: Experimental Crystal Structure Determination

description: Related Article: I.F. McClements, C.R. Wiesler, J.M. Tanski|2023|Acta Crystallogr.,Sect.E:Cryst.Commun.|79|678|doi:10.1107/S2056989023005480
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.cc2g8k3f
title: CCDC 2272334: Experimental Crystal Structure Determination

description: Related Article: Vinaya, A.S. Richard, S.M. Murthy, Y.B. Basavaraju, H.S. Yathirajan, S. Parkin|2023|Acta Crystallogr.,Sect.E:Cryst.Commun.|79|674|doi:10.1107/S2056989023005613
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.