cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2kv41m
title: CCDC 2378600: Experimental Crystal Structure Determination

description: Related Article: Chao Wan, Chao Yang, Magnus Rueping, Chen Zhu, Lin Guo, Wujiong Xia|2025|Nature Chemistry|||doi:10.1038/s41557-025-02001-9
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.cc2kpb1n
title: CCDC 2373981: Experimental Crystal Structure Determination

description: Related Article: Hai-Lou Li, Si-Han Zhao, Ya-Meng Chen, Chen Lian, Xinhua Cao|2024|Inorg.Chem.Commun.|170|113441|doi:10.1016/j.inoche.2024.113441
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.cc2ky25s
title: CCDC 2381425: Experimental Crystal Structure Determination

description: Related Article: Chao-Yue Li, Hao Yu, Xin-Yu He, Ze-Fei Yu, Xiuling Xu, Haihong Huang, Si-Fu Tang|2025|Inorg.Chem.Commun.|171|113582|doi:10.1016/j.inoche.2024.113582
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.cc2l0m08
title: CCDC 2383869: Experimental Crystal Structure Determination

description: Related Article: Ying Wei, Yangxue Mao, Xinyu Qiu, Xuanshan Zhou, Siqi Yang, Lin Zhou, Zhenhong Wei|2024|Inorg.Chem.Commun.|170|113433|doi:10.1016/j.inoche.2024.113433
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.cc2l0m2b
title: CCDC 2383871: Experimental Crystal Structure Determination

description: Related Article: Ying Wei, Yangxue Mao, Xinyu Qiu, Xuanshan Zhou, Siqi Yang, Lin Zhou, Zhenhong Wei|2024|Inorg.Chem.Commun.|170|113433|doi:10.1016/j.inoche.2024.113433
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.cc2l161x
title: CCDC 2384428: Experimental Crystal Structure Determination

description: Related Article: XinA{cent}a {not}a  yu Zhao, Wei Zhang, YaA{cent}a {not}a  shuang Zhu, Xiang Wang|2025|Inorg.Chim.Acta|577|122479|doi:10.1016/j.ica.2024.122479
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.cc2ly940
title: CCDC 2411432: Experimental Crystal Structure Determination

description: Related Article: M. Mujahid, Akshay A. Bhavar, Vijay Vara, Rajesh Gonnade, M. Muthukrishnan|2025|Asian J.Org.Chem|14|e00162|doi:10.1002/ajoc.202500162
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.cc2kxpnv
title: CCDC 2381068: Experimental Crystal Structure Determination

description: Related Article: Athul Sudheendranath, Srinu Tothadi, Amit Kumar Pradhan, Aditya Kumar Prajapati, Ashwini Nangia, Sajesh P. Thomas|2025|J.Phys.Chem.C|129|9169|doi:10.1021/acs.jpcc.5c00975
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.cc2md55d
title: CCDC 2424763: Experimental Crystal Structure Determination

description: Related Article: Yujian Liu, Xu Wen, Xiao Chen, Jiangtao Chan, Zhigang Shuai, Zhaohui Wang, Wei Jiang|2025|Angew.Chem.,Int.Ed.|64|n/a|doi:10.1002/anie.202515124
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.cc2mfx77
title: CCDC 2426439: Experimental Crystal Structure Determination

description: Related Article: Yujian Liu, Xu Wen, Xiao Chen, Jiangtao Chan, Zhigang Shuai, Zhaohui Wang, Wei Jiang|2025|Angew.Chem.,Int.Ed.|64|n/a|doi:10.1002/anie.202515124
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.cc2mxjtx
title: CCDC 2440500: Experimental Crystal Structure Determination

description: Related Article: Mohamed S. Bekheit, Siva S. Panda, Benson M Kariuki, Walid Fayad, Ahmed A. F. Soliman, Hanaa Farag, Adel S. Girgis|2025|Scientific Reports|15|40363|doi:10.1038/s41598-025-25796-6
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.cc2mxjvy
title: CCDC 2440501: Experimental Crystal Structure Determination

description: Related Article: Mohamed S. Bekheit, Siva S. Panda, Benson M Kariuki, Walid Fayad, Ahmed A. F. Soliman, Hanaa Farag, Adel S. Girgis|2025|Scientific Reports|15|40363|doi:10.1038/s41598-025-25796-6
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.cc2mxry8
title: CCDC 2440721: Experimental Crystal Structure Determination

description: Related Article: A. A. Bazanova, A. A. Skatovaa, E. V. Baranova, I. L. Fedushkina|2025|Russ.J.Coord.Chem.|51|679|doi:10.1134/S1070328425600652
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.cc2mxrz9
title: CCDC 2440722: Experimental Crystal Structure Determination

description: Related Article: A. A. Bazanova, A. A. Skatovaa, E. V. Baranova, I. L. Fedushkina|2025|Russ.J.Coord.Chem.|51|679|doi:10.1134/S1070328425600652
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.cc2mxs0c
title: CCDC 2440723: Experimental Crystal Structure Determination

description: Related Article: A. A. Bazanova, A. A. Skatovaa, E. V. Baranova, I. L. Fedushkina|2025|Russ.J.Coord.Chem.|51|679|doi:10.1134/S1070328425600652
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.cc2mxs1d
title: CCDC 2440724: Experimental Crystal Structure Determination

description: Related Article: A. A. Bazanova, A. A. Skatovaa, E. V. Baranova, I. L. Fedushkina|2025|Russ.J.Coord.Chem.|51|679|doi:10.1134/S1070328425600652
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.cc2dykvs
title: CCDC 2232956: Experimental Crystal Structure Determination

description: Related Article: Su Huang, Daming Zeng, Ming Wang, Xuefeng Jiang|2025|Nat. Synth.|||doi:10.1038/s44160-025-00938-w
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.cc2mxs2f
title: CCDC 2440725: Experimental Crystal Structure Determination

description: Related Article: A. A. Bazanova, A. A. Skatovaa, E. V. Baranova, I. L. Fedushkina|2025|Russ.J.Coord.Chem.|51|679|doi:10.1134/S1070328425600652
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.cc2n4lr5
title: CCDC 2447287: Experimental Crystal Structure Determination

description: Related Article: Xiangzhang Tao, Leejae Kim, Heeho Noh, Sungwoo Hong|2025|Angew.Chem.,Int.Ed.|64|n/a|doi:10.1002/anie.202519586
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.cc2n6hzc
title: CCDC 2449123: Experimental Crystal Structure Determination

description: Related Article: Xiangzhang Tao, Leejae Kim, Heeho Noh, Sungwoo Hong|2025|Angew.Chem.,Int.Ed.|64|n/a|doi:10.1002/anie.202519586
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.umz6fh
title: Occurrence Download

description: A dataset containing 2536 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is one of (Human Observation, Specimen)",
 "HasCoordinate is true",
 "Year is greater than or equal to 1975",
 "Year is less than or equal to 2025",
 {
 "or" : [
 "TaxonKey is Mecyna flavalis"
 ]
 }
 ]
}

 The dataset includes 2536 records from 104 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0063163-251120083545085/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.cc2n9j2l
title: CCDC 2452009: Experimental Crystal Structure Determination

description: Related Article: Nahid Hassan, Rishukumar Panday, Prashanth Gouli Chandru, Kekkar Subray Ananthram, Therese Mariya Jose, Umashis Bhoi, Adam Sieradzki, Jan K. Zaręba, Ramamoorthy Boomishankar, Kartick Tarafder, Nirmalya Ballav|2025|Angew.Chem.,Int.Ed.|64|n/a|doi:10.1002/anie.202512104
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.cc2n9t71
title: CCDC 2452293: Experimental Crystal Structure Determination

description: Related Article: Hung‐Ruei Pan, Shengfa Ye, Yang Jiang, Yu‐Chiao Peng, Chin‐Ting Kuo, Han‐Jang Ou, Zong‐Han Wu, Hua‐Fen Hsu|2025|Angew.Chem.,Int.Ed.|64|e202517592|doi:10.1002/anie.202517592
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.jmau85
title: Occurrence Download

description: A dataset containing 27 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is one of (Observation, Machine Observation, Human Observation, Material sample, Material citation, Specimen, Living Specimen, Occurrence evidence)",
 "Country is India",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Urtica dioica"
 ]
}

 The dataset includes 27 records from 7 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0063164-251120083545085/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.cc2nfcvb
title: CCDC 2455722: Experimental Crystal Structure Determination

description: Related Article: Tianshou Zhao, Manrong Song, Honglin Chen, Meiling Huang, Youke Chen, Xiaocong Zhou, Jiaheng Hu, JIng Sun, Qinping Jian, Jiayou Ren, Yilin Wang, Bin Liu|2025|ResearchSq.|||doi:10.21203/rs.3.rs-7369273/v1
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.cc2pjxdk
title: CCDC 2488909: Experimental Crystal Structure Determination

description: Related Article: Felix Geist, Benedikt Narz, Darian Boguslawski, Tobias Dunaj, Sascha Reith, Jordi Poater, Crispin Lichtenberg|2025|Nat.Commun.|16|10234|doi:10.1038/s41467-025-66412-5
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.cc2pkyt1
title: CCDC 2489914: Experimental Crystal Structure Determination

description: Related Article: Pengju Li, Zijian Zhao, Limei Tian, Rong Liu, Xiaotong Wang, Weijian Yang, Yun-Shu Cui, Mark G. Humphrey, Chi Zhang, Ke Hu|2025|J.Am.Chem.Soc.|||doi:10.1021/jacs.5c11969
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.cc2pmpcd
title: CCDC 2491574: Experimental Crystal Structure Determination

description: Related Article: Keiyo Nakai, Kuniyoshi Miki, Takashi Kikuchi, Hiroyasu Sato, Keigo Takahira, Robert Bücker, Akito Sasaki, Atsushi Kaga, Ryo Anzai, Mitsuhisa Yamano|2025|Cryst.Growth Des.|||doi:10.1021/acs.cgd.5c01477
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: 10.6073/pasta/68a01e5bd14facd64ffa1545c628676c
title: Late season thaw depth measured in the Arctic Long Term Ecological Research (ARC LTER) moist acidic tussock experimental plots at Toolik Field station, Alaska Arctic 1993 to 2025

description: Late season thaw depth was measured in the Arctic Long Term Ecological Research (ARC LTER) experimental plots (1981 Moist Acidic Tussock, 1989 Moist Acidic Tussock, 2006 Low Fertilization Moist Acidic Tussock, 1989 Moist Non-acidic Tussock, 1989 Moist Non-acidic Non-tussock and 1989 Wet Sedge tundra) at Toolik Lake, Alaska using a steel thaw probe. Note: for 2017-2018 only 1989 Moist Non-Acidic Tussock Tundra and 2006 Low fertilization Moist Acidic Tussock Tundra were measured. For other sites it has become difficult to distinguish rocks from frozen soil with a steel thaw probe. Starting in 2023 weekly thaw depth measurements were made throughout the growing season in the 2006 Low fertilization Moist Acidic Tussock Tundra experiment.
DOI: 10.6084/m9.figshare.30790418.v1
title: Turbidity impacts growth and behaviour, but not thermal or hypoxia tolerance of the Endangered Lake Chubsucker across lab and field contexts

description: Raw data for experiment 1 (respirometry and mass), experiment 2 (behaviour and CTMax) and experiment 3 (CTMax).
DOI: 10.5281/zenodo.18019638
title: Intensivkapazitäten und COVID-19-Intensivbettenbelegung in Deutschland

description: Der Datensatz "Intensivkapazitäten und COVID-19-Intensivbettenbelegung in Deutschland" des Robert Koch-Instituts dokumentiert die tägliche intensivmedizinische Versorgungslage seit der COVID-19-Pandemie. Basierend auf Meldungen aller intensivbettenführenden Krankenhäuser in Deutschland erfasst das DIVI-Intensivregister Echtzeitdaten zu belegten und freien Intensivbetten. Die Erhebung differenziert nach Altersgruppen, Regionen und Versorgungsstufen. COVID-19-Fälle auf Intensivstationen werden gesondert ausgewiesen. Die Daten stehen aggregiert auf Bundes-, Landes- und Kreisebene zur Verfügung. Damit bildet der Datensatz eine Grundlage für die Überwachung von Kapazitäten, die Koordination von Behandlungskapazitäten und politische Entscheidungsprozesse während der Pandemie und darüber hinaus.
DOI: 10.7910/dvn/flqxpy
title: Replication Data for Covalent Control of Excitonic Interactions in Perylene Diimide Trimers: A Computational Study

description: Covalently tethering chromophores is an emerging strategy to control the structure and function of supramolecular aggregates for organic electronic applications. In this study, we employ first principle calculations to elucidate structure-property relationships in three perylene diimide (PDI) trimer systems: a non-covalent assembly (u-PDI3), a stapled assembly (t-PDI3), and a folded (foldamer) assembly, (s-PDI3) in aqueous solvent. Our results show how tethering controls inter-chromophore geometry, particularly twist angles and slip displacements, which determine electronic coupling patterns. The t-PDI3 system enforces symmetric cofacial alignment with small twist angles, producing high charge-transfer (CT) character across low-lying excited states, strong coupling (0.16-0.17 eV), and the largest exciton bandwidth. In contrast, u-PDI3 features varying electronic transition character and coupling heterogeneity (0.07-0.15 eV), while s-PDI3 has uniform CT character with moderate coupling strength (0.10-0.14 eV). The findings highlight how covalent tethering can be engineered to tune excitonic and charge-transfer properties in pi-stacked molecular aggregates.
description: Gaussian, Multiwfn, 16, 3.8