cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.30271873.v3
title: PestiGlobal: A Comprehensive Dataset on Pesticide Pollution and Standards

description: We present a comprehensive dataset on pesticide concentrations in environmental media (air, water, and soil) along with corresponding environmental quality standards across multiple countries. The dataset includes detailed metadata, such as sampling locations and sampling dates. This dataset can be used for exposure and health risk assessments.
DOI: 10.57903/uj/y5peoy
title: 4 sources phantom simulated data after transformation

description: Three data files -&gt; The first one with all the resolution applied (time, energy and position), the second one without time smearing and the last without any smearing applied
Data is in the format: X, Y and Z position [cm] with time [ps] for Deexcitation, and Two of the Annihilation Hits in an event
DOI: 10.5281/zenodo.18545803
title: REDUCING STRESS AND DEVELOPING SELF-MANAGEMENT TECHNIQUES IN SCHOOL STUDENTS THROUGH SPORTS ACTIVITIES

description: This study is devoted to studying the importance of sports training in reducing stress levels and developing self-regulation skills in schoolchildren. During the study, the impact of physical activity on the psychological state and the possibilities of forming emotional stability through sports training were analyzed. The results of experimental studies showed that students who regularly engage in sports have a higher level of stress resistance and control over their own behavior.
DOI: 10.5281/zenodo.18545804
title: REDUCING STRESS AND DEVELOPING SELF-MANAGEMENT TECHNIQUES IN SCHOOL STUDENTS THROUGH SPORTS ACTIVITIES

description: This study is devoted to studying the importance of sports training in reducing stress levels and developing self-regulation skills in schoolchildren. During the study, the impact of physical activity on the psychological state and the possibilities of forming emotional stability through sports training were analyzed. The results of experimental studies showed that students who regularly engage in sports have a higher level of stress resistance and control over their own behavior.
DOI: 10.5283/epub.78623
title: 250 Jahre Todesfeststellung

description: Datensatz, Zitatensammlung aus Lexika, Gesetzen, Hochschulschriften und Vorschriften
DOI: 10.15468/dl.dxbfrw
title: Occurrence Download

description: A dataset containing 32 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Dioscorea glauca"
 ]
}

 The dataset includes 32 records from 16 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002528-260208012135463/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.6084/m9.figshare.29231249
title: tables

description: Our article is a follow-up to the research article entitled “The catalog of Hvar Observatory solar observations” published by Solar Physics. We performed a Sun-to-Earth analysis of Earth-directed eruptive events from the Hvar catalog, reliably associating them with coronal mass ejections and their interplanetary counterparts where possible, and examined the consistency between their remote and in situ signatures.
DOI: 10.6084/m9.figshare.29231249.v1
title: tables

description: Our article is a follow-up to the research article entitled “The catalog of Hvar Observatory solar observations” published by Solar Physics. We performed a Sun-to-Earth analysis of Earth-directed eruptive events from the Hvar catalog, reliably associating them with coronal mass ejections and their interplanetary counterparts where possible, and examined the consistency between their remote and in situ signatures.
DOI: 10.5517/ccdc.csd.cc2m88gn
title: CCDC 2421021: Experimental Crystal Structure Determination

description: Related Article: Ruiyan Dai, Xiaxia Zhang, Dongnan Tu, Jie Li, Yu Wang, Chuanlang Zhan|2026|J.Mol.Struct.|1360|145581|doi:10.1016/j.molstruc.2026.145581
description: Related Article: Xiaxia Zhang, Ruiyan Dai, Chuanlang Zhan|2025|J.Mater.Chem.C|13|21988|doi:10.1039/d5tc02825f
description: Related Article: Xiaxia Zhang, Ruiyan Dai, Jie Li, Dongnan Tu, Chuanlang Zhan|2026|Spectrochim.Acta,Part A|349|127371|doi:10.1016/j.saa.2025.127371
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.cc2m88hp
title: CCDC 2421022: Experimental Crystal Structure Determination

description: Related Article: Ruiyan Dai, Xiaxia Zhang, Dongnan Tu, Jie Li, Yu Wang, Chuanlang Zhan|2026|J.Mol.Struct.|1360|145581|doi:10.1016/j.molstruc.2026.145581
description: Related Article: Xiaxia Zhang, Ruiyan Dai, Chuanlang Zhan|2025|J.Mater.Chem.C|13|21988|doi:10.1039/d5tc02825f
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.cc2pbng5
title: CCDC 2482897: Experimental Crystal Structure Determination

description: Related Article: Yu-Long Zhang, Zhu Zhuo, Zi-Ang Nan, Jiang-Feng Lu, Wei Wang, Ming-Yan Wu, You-Gui Huang|2026|J. Am. Ceram. Soc.|||doi:10.1021/jacs.5c16974
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.cc2pbnh6
title: CCDC 2482898: Experimental Crystal Structure Determination

description: Related Article: Yu-Long Zhang, Zhu Zhuo, Zi-Ang Nan, Jiang-Feng Lu, Wei Wang, Ming-Yan Wu, You-Gui Huang|2026|J. Am. Ceram. Soc.|||doi:10.1021/jacs.5c16974
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.cc2pg0gn
title: CCDC 2486121: Experimental Crystal Structure Determination

description: Related Article: xu qii|2025|CSD Communication|||
description: Related Article: Qiqi Xu, Ying Wang, Yiyan Guan, Chenggong Ma, Guofeng Yi, Xinyun Du, Haile Bin, Wentao Shen, Cheng-Yun Wang, Yongzhen Wu, Huili Ma, Fei Tong, Wei-Hong Zhu, Weijun Zhao
|2025|Angew.Chem.,Int.Ed.||e22144|doi:10.1002/anie.202522144
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.cc2pg0hp
title: CCDC 2486122: Experimental Crystal Structure Determination

description: Related Article: xu qii|2025|CSD Communication|||
description: Related Article: Qiqi Xu, Ying Wang, Yiyan Guan, Chenggong Ma, Guofeng Yi, Xinyun Du, Haile Bin, Wentao Shen, Cheng-Yun Wang, Yongzhen Wu, Huili Ma, Fei Tong, Wei-Hong Zhu, Weijun Zhao
|2025|Angew.Chem.,Int.Ed.||e22144|doi:10.1002/anie.202522144
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.cc2pg0jq
title: CCDC 2486123: Experimental Crystal Structure Determination

description: Related Article: xu qii|2025|CSD Communication|||
description: Related Article: Qiqi Xu, Ying Wang, Yiyan Guan, Chenggong Ma, Guofeng Yi, Xinyun Du, Haile Bin, Wentao Shen, Cheng-Yun Wang, Yongzhen Wu, Huili Ma, Fei Tong, Wei-Hong Zhu, Weijun Zhao
|2025|Angew.Chem.,Int.Ed.||e22144|doi:10.1002/anie.202522144
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.cc2pg0kr
title: CCDC 2486124: Experimental Crystal Structure Determination

description: Related Article: xu qii|2025|CSD Communication|||
description: Related Article: Qiqi Xu, Ying Wang, Yiyan Guan, Chenggong Ma, Guofeng Yi, Xinyun Du, Haile Bin, Wentao Shen, Cheng-Yun Wang, Yongzhen Wu, Huili Ma, Fei Tong, Wei-Hong Zhu, Weijun Zhao
|2025|Angew.Chem.,Int.Ed.||e22144|doi:10.1002/anie.202522144
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.cc2pg0ls
title: CCDC 2486125: Experimental Crystal Structure Determination

description: Related Article: xu qii|2025|CSD Communication|||
description: Related Article: Qiqi Xu, Ying Wang, Yiyan Guan, Chenggong Ma, Guofeng Yi, Xinyun Du, Haile Bin, Wentao Shen, Cheng-Yun Wang, Yongzhen Wu, Huili Ma, Fei Tong, Wei-Hong Zhu, Weijun Zhao
|2025|Angew.Chem.,Int.Ed.||e22144|doi:10.1002/anie.202522144
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.cc2pngwq
title: CCDC 2492334: Experimental Crystal Structure Determination

description: Related Article: Yayun Chen, Sijia Ma, Chuanliang Li, Shouyi Cen, Zhipeng Zhang|2026|J.Am.Chem.Soc.|||doi:10.1021/jacs.5c18705
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.cc2mpnpp
title: CCDC 2433893: Experimental Crystal Structure Determination

description: Related Article: Nikita A. Korobeynikov, Andrey N. Usoltsev, Ekaterina A. Radiush, Nikolay A. Semenov, Maxim N. Sokolov, Sergey A. Adonin|2026|Inorg.Chem.|||doi:10.1021/acs.inorgchem.5c05013
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.cc2pnjc8
title: CCDC 2492380: Experimental Crystal Structure Determination

description: Related Article: Yayun Chen, Sijia Ma, Chuanliang Li, Shouyi Cen, Zhipeng Zhang|2026|J.Am.Chem.Soc.|||doi:10.1021/jacs.5c18705
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.cc2pq7qd
title: CCDC 2494034: Experimental Crystal Structure Determination

description: Related Article: Shota Mizuno, Haruka Suzuki, Kunihiko Kato, Yasuhiro Kubota, Toshiyasu Inuzuka, Takayuki Ban, Kazumasa Funabiki|2025|New J.Chem.|49|19479|doi:10.1039/d5nj03620h
description: Related Article: Shota Mizuno, Haruka Suzuki, Yasuhiro Kubota, Toshiyasu Inuzuka, Kazumasa Funabiki|2025|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2pq7rf
title: CCDC 2494035: Experimental Crystal Structure Determination

description: Related Article: Shota Mizuno, Haruka Suzuki, Kunihiko Kato, Yasuhiro Kubota, Toshiyasu Inuzuka, Takayuki Ban, Kazumasa Funabiki|2025|New J.Chem.|49|19479|doi:10.1039/d5nj03620h
description: Related Article: Shota Mizuno, Haruka Suzuki, Yasuhiro Kubota, Toshiyasu Inuzuka, Kazumasa Funabiki|2025|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2pq82s
title: CCDC 2494045: Experimental Crystal Structure Determination

description: Related Article: Amy V. Hall, Alice C. Taylor, Natalie E. Pridmore, Aurora J. Cruz-Cabeza, David K. Smith, Niccolò Cosottini, Mark A. Fox, Amrita Chattopadhyay, Stefanos Konstantinopoulos, Daniel N. Rainer, Simon J. Coles, Nicholas Blagden, Qi Zhang, Leon Bowen, Toby J. Blundell|2026|J.Am.Chem.Soc.|||doi:10.1021/jacs.5c22213
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: 10.15468/dl.5gsbfn
title: Occurrence Download

description: A dataset containing 1692 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 },
 "TaxonKey is Aristida glauca"
 ]
}

 The dataset includes 1692 records from 96 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002529-260208012135463/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/ccdc.csd.cc2pq83t
title: CCDC 2494046: Experimental Crystal Structure Determination

description: Related Article: Amy V. Hall, Alice C. Taylor, Natalie E. Pridmore, Aurora J. Cruz-Cabeza, David K. Smith, Niccolò Cosottini, Mark A. Fox, Amrita Chattopadhyay, Stefanos Konstantinopoulos, Daniel N. Rainer, Simon J. Coles, Nicholas Blagden, Qi Zhang, Leon Bowen, Toby J. Blundell|2026|J.Am.Chem.Soc.|||doi:10.1021/jacs.5c22213
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.cc2pq87y
title: CCDC 2494050: Experimental Crystal Structure Determination

description: Related Article: Amy V. Hall, Alice C. Taylor, Natalie E. Pridmore, Aurora J. Cruz-Cabeza, David K. Smith, Niccolò Cosottini, Mark A. Fox, Amrita Chattopadhyay, Stefanos Konstantinopoulos, Daniel N. Rainer, Simon J. Coles, Nicholas Blagden, Qi Zhang, Leon Bowen, Toby J. Blundell|2026|J.Am.Chem.Soc.|||doi:10.1021/jacs.5c22213
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.cc2pq88z
title: CCDC 2494051: Experimental Crystal Structure Determination

description: Related Article: Amy V. Hall, Alice C. Taylor, Natalie E. Pridmore, Aurora J. Cruz-Cabeza, David K. Smith, Niccolò Cosottini, Mark A. Fox, Amrita Chattopadhyay, Stefanos Konstantinopoulos, Daniel N. Rainer, Simon J. Coles, Nicholas Blagden, Qi Zhang, Leon Bowen, Toby J. Blundell|2026|J.Am.Chem.Soc.|||doi:10.1021/jacs.5c22213
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.18545884
title: Critical evaluation of ambiguities in computational modelling of zero-field splitting parameters – case study: trigonal and triclinic dinuclear Gd3+ complexes

description: The symmetry aspects permeate studies of transition ions in coordination compounds, profoundly affecting spectroscopic and magnetic properties, yet are not adequately recognized in literature. To investigate these aspects, two structurally similar dinuclear Gd3+ complexes were synthesized as potential molecular nanomagnets (MNMs): [Gd2(L1)3](NO3)3 (1 symmetric; trigonal C3 site symmetry) and [Gd2(L2)3(NO3)3] (2 dissymmetric; triclinic C1). Using various structural datasets, the zero-field splitting parameters (ZFSPs) are modelled for Gd3+ centers employing superposition model and ab initio MOLCAS code. The symmetry issues in ZFSP modelling are categorized and crucial notions defined. The intertwined symmetry and magnetism issues in ab initio computations are expounded. Existence of infinite number of numerically distinct, yet physically equivalent, parameter sets for low site symmetry necessitates using standardization for valid direct comparison of ZFSPs, whereas invariant quantities for quantifying the degree of physical equivalence of modelled ZFSPs. Analysis of symmetry aspects inherent in the modelled ZFSP sets reveals that: (i) the SHAPE-generated structural datasets are unsuitable for ZFSP modelling; (ii) the triclinic symmetry inherent in MOLCAS-computed ZFSPs for 1 is merely apparent, not actual. The importance of the symmetry and magnetism aspects for proper interpretation of computational and experimental results is demonstrated. By expounding these aspects encountered at the interface between diverse methodologies, this in-depth study may improve researchers' knowledge and diminish proliferation of incorrect interpretations of compounds' properties. This paper has a broader character as a critical evaluation of ambiguities in interpretation of the modelled ZFSP sets reported in literature, which are related to symmetry and magnetism aspects.
description: This work was primarily supported by the grant: (PI: CZR): OPUS UMO-2016/21/B/ST4/02064 and to a lesser extent: (PI: DM): PRELUDIUM UMO-2022/45/N/ST4/00344; (PI: AG): SONATA UMO-2020/39/D/ST4/01182, from Polish National Science Centre. C. Rudowicz acknowledges partial support from the internal research grant from the Faculty of Chemistry, Adam Mickiewicz University. The ab initio computations were carried out at the Poznan Supercomputing and Networking Centre (Grant No. pl0430-01). The authors are grateful to the anonymous Reviewers for the critical and insightful remarks, which helped us to significantly improve the paper.
DOI: 10.5281/zenodo.18545038
title: Critical evaluation of ambiguities in computational modelling of zero-field splitting parameters – case study: trigonal and triclinic dinuclear Gd3+ complexes

description: The symmetry aspects permeate studies of transition ions in coordination compounds, profoundly affecting spectroscopic and magnetic properties, yet are not adequately recognized in literature. To investigate these aspects, two structurally similar dinuclear Gd3+ complexes were synthesized as potential molecular nanomagnets (MNMs): [Gd2(L1)3](NO3)3 (1 symmetric; trigonal C3 site symmetry) and [Gd2(L2)3(NO3)3] (2 dissymmetric; triclinic C1). Using various structural datasets, the zero-field splitting parameters (ZFSPs) are modelled for Gd3+ centers employing superposition model and ab initio MOLCAS code. The symmetry issues in ZFSP modelling are categorized and crucial notions defined. The intertwined symmetry and magnetism issues in ab initio computations are expounded. Existence of infinite number of numerically distinct, yet physically equivalent, parameter sets for low site symmetry necessitates using standardization for valid direct comparison of ZFSPs, whereas invariant quantities for quantifying the degree of physical equivalence of modelled ZFSPs. Analysis of symmetry aspects inherent in the modelled ZFSP sets reveals that: (i) the SHAPE-generated structural datasets are unsuitable for ZFSP modelling; (ii) the triclinic symmetry inherent in MOLCAS-computed ZFSPs for 1 is merely apparent, not actual. The importance of the symmetry and magnetism aspects for proper interpretation of computational and experimental results is demonstrated. By expounding these aspects encountered at the interface between diverse methodologies, this in-depth study may improve researchers' knowledge and diminish proliferation of incorrect interpretations of compounds' properties. This paper has a broader character as a critical evaluation of ambiguities in interpretation of the modelled ZFSP sets reported in literature, which are related to symmetry and magnetism aspects.
description: This work was primarily supported by the grant: (PI: CZR): OPUS UMO-2016/21/B/ST4/02064 and to a lesser extent: (PI: DM): PRELUDIUM UMO-2022/45/N/ST4/00344; (PI: AG): SONATA UMO-2020/39/D/ST4/01182, from Polish National Science Centre. C. Rudowicz acknowledges partial support from the internal research grant from the Faculty of Chemistry, Adam Mickiewicz University. The ab initio computations were carried out at the Poznan Supercomputing and Networking Centre (Grant No. pl0430-01). The authors are grateful to the anonymous Reviewers for the critical and insightful remarks, which helped us to significantly improve the paper.