cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc28wlzr
title: CCDC 2111905: Experimental Crystal Structure Determination

description: Related Article: Ryohei Yoshida, Takashi Tachikawa, Suguru Ito|2022|Cryst.Growth Des.|22|547|doi:10.1021/acs.cgd.1c01128
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.cc28wm0t
title: CCDC 2111906: Experimental Crystal Structure Determination

description: Related Article: Ryohei Yoshida, Takashi Tachikawa, Suguru Ito|2022|Cryst.Growth Des.|22|547|doi:10.1021/acs.cgd.1c01128
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.cc28wm1v
title: CCDC 2111907: Experimental Crystal Structure Determination

description: Related Article: Ryohei Yoshida, Takashi Tachikawa, Suguru Ito|2022|Cryst.Growth Des.|22|547|doi:10.1021/acs.cgd.1c01128
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.cc28xyrx
title: CCDC 2113200: Experimental Crystal Structure Determination

description: Related Article: Puzhen Li, Meng Zhang, Thierry Maris, X. X. Zhu, James D. Wuest|2022|Cryst.Growth Des.|22|643|doi:10.1021/acs.cgd.1c01182
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.cc28xysy
title: CCDC 2113201: Experimental Crystal Structure Determination

description: Related Article: Puzhen Li, Meng Zhang, Thierry Maris, X. X. Zhu, James D. Wuest|2022|Cryst.Growth Des.|22|643|doi:10.1021/acs.cgd.1c01182
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.cc28xytz
title: CCDC 2113202: Experimental Crystal Structure Determination

description: Related Article: Puzhen Li, Meng Zhang, Thierry Maris, X. X. Zhu, James D. Wuest|2022|Cryst.Growth Des.|22|643|doi:10.1021/acs.cgd.1c01182
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.cc28xyv0
title: CCDC 2113203: Experimental Crystal Structure Determination

description: Related Article: Puzhen Li, Meng Zhang, Thierry Maris, X. X. Zhu, James D. Wuest|2022|Cryst.Growth Des.|22|643|doi:10.1021/acs.cgd.1c01182
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.cc28xyw1
title: CCDC 2113204: Experimental Crystal Structure Determination

description: Related Article: Puzhen Li, Meng Zhang, Thierry Maris, X. X. Zhu, James D. Wuest|2022|Cryst.Growth Des.|22|643|doi:10.1021/acs.cgd.1c01182
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.cc1j0rpz
title: CCDC 1400911: Experimental Crystal Structure Determination

description: Related Article: Yixin Zhang, Jinfeng Zhao, Dawei Yang, Baomin Wang, Yuhan Zhou, Junhu Wang, Hui Chen, Tao Mei, Shengfa Ye, Jingping Qu|2022|Nature Chemistry|14|46|doi:10.1038/s41557-021-00852-6
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.cc1j2w8r
title: CCDC 1402944: Experimental Crystal Structure Determination

description: Related Article: Yixin Zhang, Jinfeng Zhao, Dawei Yang, Baomin Wang, Yuhan Zhou, Junhu Wang, Hui Chen, Tao Mei, Shengfa Ye, Jingping Qu|2022|Nature Chemistry|14|46|doi:10.1038/s41557-021-00852-6
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.cc1j2w9s
title: CCDC 1402945: Experimental Crystal Structure Determination

description: Related Article: Yixin Zhang, Jinfeng Zhao, Dawei Yang, Baomin Wang, Yuhan Zhou, Junhu Wang, Hui Chen, Tao Mei, Shengfa Ye, Jingping Qu|2022|Nature Chemistry|14|46|doi:10.1038/s41557-021-00852-6
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.cc1k5h3b
title: CCDC 1435241: Experimental Crystal Structure Determination

description: Related Article: Yixin Zhang, Jinfeng Zhao, Dawei Yang, Baomin Wang, Yuhan Zhou, Junhu Wang, Hui Chen, Tao Mei, Shengfa Ye, Jingping Qu|2022|Nature Chemistry|14|46|doi:10.1038/s41557-021-00852-6
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.cc283rrx
title: CCDC 2088989: Experimental Crystal Structure Determination

description: Related Article: Reike Clauss, Saral Baweja, Dmitri Gelman, Evamarie Hey-Hawkins|2022|Dalton Trans.|51|1344|doi:10.1039/D1DT03757A
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.cc28rqyq
title: CCDC 2108184: Experimental Crystal Structure Determination

description: Related Article: Yixin Zhang, Jinfeng Zhao, Dawei Yang, Baomin Wang, Yuhan Zhou, Junhu Wang, Hui Chen, Tao Mei, Shengfa Ye, Jingping Qu|2022|Nature Chemistry|14|46|doi:10.1038/s41557-021-00852-6
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.cc28y86q
title: CCDC 2113493: Experimental Crystal Structure Determination

description: Related Article: Yuu Kajiwara, Seiya Miyata, Hidetaka Nakai|2022|Dalton Trans.|51|48|doi:10.1039/D1DT03347F
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.cc28y87r
title: CCDC 2113494: Experimental Crystal Structure Determination

description: Related Article: Yuu Kajiwara, Seiya Miyata, Hidetaka Nakai|2022|Dalton Trans.|51|48|doi:10.1039/D1DT03347F
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.cc28y88s
title: CCDC 2113495: Experimental Crystal Structure Determination

description: Related Article: Yuu Kajiwara, Seiya Miyata, Hidetaka Nakai|2022|Dalton Trans.|51|48|doi:10.1039/D1DT03347F
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.cc28y89t
title: CCDC 2113496: Experimental Crystal Structure Determination

description: Related Article: Yuu Kajiwara, Seiya Miyata, Hidetaka Nakai|2022|Dalton Trans.|51|48|doi:10.1039/D1DT03347F
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.cc28y8bv
title: CCDC 2113497: Experimental Crystal Structure Determination

description: Related Article: Yuu Kajiwara, Seiya Miyata, Hidetaka Nakai|2022|Dalton Trans.|51|48|doi:10.1039/D1DT03347F
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.cc28y8cw
title: CCDC 2113498: Experimental Crystal Structure Determination

description: Related Article: Yuu Kajiwara, Seiya Miyata, Hidetaka Nakai|2022|Dalton Trans.|51|48|doi:10.1039/D1DT03347F
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.cc28y8dx
title: CCDC 2113499: Experimental Crystal Structure Determination

description: Related Article: Yuu Kajiwara, Seiya Miyata, Hidetaka Nakai|2022|Dalton Trans.|51|48|doi:10.1039/D1DT03347F
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.cc283rsy
title: CCDC 2088990: Experimental Crystal Structure Determination

description: Related Article: Reike Clauss, Saral Baweja, Dmitri Gelman, Evamarie Hey-Hawkins|2022|Dalton Trans.|51|1344|doi:10.1039/D1DT03757A
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.cc284kkk
title: CCDC 2089758: Experimental Crystal Structure Determination

description: Related Article: Reike Clauss, Saral Baweja, Dmitri Gelman, Evamarie Hey-Hawkins|2022|Dalton Trans.|51|1344|doi:10.1039/D1DT03757A
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.cc284m46
title: CCDC 2089807: Experimental Crystal Structure Determination

description: Related Article: Reike Clauss, Saral Baweja, Dmitri Gelman, Evamarie Hey-Hawkins|2022|Dalton Trans.|51|1344|doi:10.1039/D1DT03757A
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: 10.26188/21992870
title: Submitted reads

description: Sequence reads submitted by participants for the RCPAQAP 2021 SARS-CoV-2 WGS PTP.
DOI: 10.26188/21992870.v1
title: Submitted reads

description: Sequence reads submitted by participants for the RCPAQAP 2021 SARS-CoV-2 WGS PTP.
DOI: 10.6084/m9.figshare.21774902
title: Data for McAfee, Leung, Connell. Improving ecological function of polluted coasts under a tide of plastic pollution. Frontiers in Ecology and the Environment (FEE21-0330.R1).

description: This file contains the raw data for the oyster filtration experiments that are presented in the main manuscript (i.e., Figure 1) and the supplementary files (Panel Figure 1 and 2) of this paper (FEE21-0330.R1). No ethics approval was required for this work. <br> <em>Experiments for Figure 1 and Panel Figure 1 and 2</em>: Experiments were conducted using Australian Flat oysters (<em>Ostrea angasi</em>; ca. 2 years old) that were acclimated to controlled aquarium conditions (21.0 ± 0.5 °C; day/night cycle: 16/8 hr). Individual oysters were placed into experimental tanks (34 × 28 × 22 cm) filled with 17 L filtered seawater and cultivated microalgae (<em>Isochrysis </em>sp<em>.</em>) at an initial concentration of ~5 × 10<sup>5</sup> cells mL<sup>–1</sup>, and exposed to experimental treatments consisting of either 0, 10, or 100 µg L<sup>–1</sup> of polystyrene microspheres (diameter: 10 µm) crossed with either 0, 1, 2, 4 or 8 mg L<sup>–1</sup> of nitrigen fertiliser. Crossing all combinations of microplastic (three levels) and nitrogen (five levels) concentrations, 15 treatments were run both with and without oysters (<em>n</em> = 3 replicate tanks). Each of the 90 tanks were run in a temperature-controlled room (21.0 ± 0.5 °C) over four days under UV lights to stimulate continual growth of the microalgae. Changes in microalgae concentrations were measured per tank before and after the four-day exposure. From each tank, four aliquots (5 mL) were extracted, fixed with Lugol’s solution, and the microalgae concentration quantified using a haemocytometer under a light microscope. These four values were averaged to provide a single value per tank, with the process repeated for each replicate tank (<em>n</em> = 3 per treatment). <br> <em>Experiment for Panel Figure 2</em>: For the shock experiment, an individual oyster was placed in a tank (34 cm × 28 cm × 22 cm) filled with 7.5 L filtered seawater at one of four microplastic concentrations (0, 10, 100, or 1000 µg L–1; <em>n</em> = 5 replicate tanks per microplastic concentration). The oyster was allowed to rest for 2 hours, followed by adding algal suspension into the tank to obtain an initial microalgae concentration at ~5 × 105 cells mL–1. The oyster then fed for 9 hours. The final microalgae concentration was measured using a haemocytometer using the same method as described above. <br> Note<sup>1</sup>: the microplastic discharge data was extracted from Schmidt et al. 2017 (data accessible here: https://pubs.acs.org/doi/abs/10.1021/acs.est.7b02368), wheras the river water discharge values were extracted from: Milliman and Farnsworth (2011) River Discharge to the Coastal Ocean: A Global Synthesis. Cambridge University Press, Cambridge.
DOI: 10.5281/zenodo.7553843
title: Dataset3 for "General framework for E(3)-equivariant neural network representation of density functional theory Hamiltonian"

description: Supporting data for the paper "General framework for E(3)-equivariant neural network representation of density functional theory Hamiltonian". Contains atomic structures and Hamiltonian matrices of bilayer bismuth telluride. Detailed descriptions about the format of data and instructions on how to reproduce the results in the paper can be found in README.md.
DOI: 10.5281/zenodo.7553842
title: Dataset3 for "General framework for E(3)-equivariant neural network representation of density functional theory Hamiltonian"

description: Supporting data for the paper "General framework for E(3)-equivariant neural network representation of density functional theory Hamiltonian". Contains atomic structures and Hamiltonian matrices of bilayer bismuth telluride. Detailed descriptions about the format of data and instructions on how to reproduce the results in the paper can be found in README.md.
DOI: 10.34740/kaggle/dsv/4930662
title: Survey on Employment Trends
DOI: 10.25934/pr00006829.0
title: Available IPD datapackage for study 'A Multicentre, 12 Week Double Blind Placebo Controlled Randomized Study Of Etanercept On A Background Nsaid In The Treatment Of Adult Subjects With Non Radiographic Axial Spondyloarthritis With A 92 Week Open Label Extension'

description: This is a two part study. During period one there will be a comparison of Etanercept (ETN) against a placebo with both arms maintaining the background anti inflammatory drug prescribed by their Physician. The hypothesis is that Etanercept will be superior to the placebo arm as determined by the proportion of subjects achieving Assessments in Ankylosing Spondylitis (ASAS)40 improvement at 12 weeks. This will be followed by 92 weeks extension where everyone in the trial receives Etanercept (ETN) and a background non steroidal anti inflammatory drug(NSAID).
DOI: 10.25934/pr00006769.0
title: Available IPD datapackage for study 'Multicenter, Double-Blind, Parallel, Placebo-Controlled, Randomised Phase 3 Study of Etanercept in the Treatment of Patients With Ankylosing Spondylitis: 12-Week Final Data'

description: The primary objective of the study was to compare the efficacy of etanercept (25 mg, twice weekly) with that of placebo based on the percentage of patients who achieve the Assessment in Ankylosing Spondylitis (ASAS) response criteria (ASAS 20%) at week 12.
DOI: 10.6084/m9.figshare.21994268
title: morphing_data

description: experimal data, river, and contour at large scale and small scale <br>
DOI: 10.6084/m9.figshare.21994268.v1
title: morphing_data

description: experimal data, river, and contour at large scale and small scale <br>
DOI: 10.5517/ccdc.csd.cc28zgh7
title: CCDC 2114649: Experimental Crystal Structure Determination

description: Related Article: Preshit Abhyankar|2021|CSD Communication|||
description: Related Article: Preshit Abhyankar, Samantha N. MacMillan, David C. Lacy|2022|Organometallics|41|60|doi:10.1021/acs.organomet.1c00603
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.cc28zgj8
title: CCDC 2114650: Experimental Crystal Structure Determination

description: Related Article: Preshit Abhyankar|2021|CSD Communication|||
description: Related Article: Preshit Abhyankar, Samantha N. MacMillan, David C. Lacy|2022|Organometallics|41|60|doi:10.1021/acs.organomet.1c00603
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.cc28zgk9
title: CCDC 2114651: Experimental Crystal Structure Determination

description: Related Article: Preshit Abhyankar|2021|CSD Communication|||
description: Related Article: Preshit Abhyankar, Samantha N. MacMillan, David C. Lacy|2022|Organometallics|41|60|doi:10.1021/acs.organomet.1c00603
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.cc28zglb
title: CCDC 2114652: Experimental Crystal Structure Determination

description: Related Article: Preshit Abhyankar|2021|CSD Communication|||
description: Related Article: Preshit Abhyankar, Samantha N. MacMillan, David C. Lacy|2022|Organometallics|41|60|doi:10.1021/acs.organomet.1c00603
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.