cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/xz7trnsndg.1
title: Data for: Control Rod Treatment for FEM Based Radiation Transport Methods

description: CSV files contain power traces (relative power vs. time) for the C5G7-TD-4.1 benchmark problem computed with the radiation transport code Rattlesnake. The particular goal of this data set is to show how well cusping effects are removed using Rattlesnake's control rod treatment method. Python scripts are available that process the data and produce figures and data published in the linked Annals of Nuclear Energy article.
DOI: 10.5281/zenodo.2432418
title: Data From: Toward a Better Data Management Plan: The Impact of DMPs on Grant Funded Research Practices

description: Researchers from Montana State University analyzed 186 National Science Foundation (NSF) data management plans, using the Data Management Plans As a Research Tool (DART) rubric.
DOI: 10.5281/zenodo.2437013
title: Global Empirical Picture of Magnetospheric Substorms Inferred from Multi-Mission Magnetometer Data

description: Data associated with Journal of Geophysical Research: Space Physics article titled: "Global Empirical Picture of Magnetospheric Substorms Inferred from Multi-Mission Magnetometer Data". This includes all the digital data that was used in constructing the Figures from the main and supplementary text, along with files containing the fit set of coefficients and parameters for the model, and files describing the subset of magnetometer used for fitting the model.
DOI: 10.5281/zenodo.2464438
title: DWD European Weather

description: opendata.dwd.de - OpenData by Deutscher Wetter Dienst

Conditions: https://www.dwd.de/EN/service/copyright/copyright_node.html

dates and times are UTC.
DOI: 10.5517/ccdc.csd.cc1pdhrb
title: CCDC 1561152: Experimental Crystal Structure Determination

description: Related Article: Cristina García-Simón, Alba Monferrer, Marc Garcia-Borràs, Inhar Imaz, Daniel Maspoch, Miquel Costas, Xavi Ribas|2019|Chem.Commun.|55|798|doi:10.1039/C8CC07886F
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.cc1pdhsc
title: CCDC 1561153: Experimental Crystal Structure Determination

description: Related Article: Cristina García-Simón, Alba Monferrer, Marc Garcia-Borràs, Inhar Imaz, Daniel Maspoch, Miquel Costas, Xavi Ribas|2019|Chem.Commun.|55|798|doi:10.1039/C8CC07886F
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.cc1pstz8
title: CCDC 1573001: Experimental Crystal Structure Determination

description: Related Article: Guillaume Force, Yvette Lock Toy Ki, Pascal Retailleau, Jean-François Betzer|2018|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.cc1ptdpl
title: CCDC 1573550: Experimental Crystal Structure Determination

description: Related Article: Jinhuan Dong, Dawei Zhang, Yang Men, Xueming Zhang, Zhongyan Hu, Xianxiu Xu|2018|Org.Lett.|21|166|doi:10.1021/acs.orglett.8b03646
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.cc1pzvfy
title: CCDC 1578781: Experimental Crystal Structure Determination

description: Related Article: Rong-Rong Zhu, Tao Wang, Da-Wei Wang, Tong Yan, Quan Wang, Hang-Xing Li, Zhe Xue, Jie Zhou, Lin Du, Qi-Hua Zhao|2019|New J.Chem.|43|1494|doi:10.1039/C8NJ05508D
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.cc1pzvgz
title: CCDC 1578782: Experimental Crystal Structure Determination

description: Related Article: Rong-Rong Zhu, Tao Wang, Da-Wei Wang, Tong Yan, Quan Wang, Hang-Xing Li, Zhe Xue, Jie Zhou, Lin Du, Qi-Hua Zhao|2019|New J.Chem.|43|1494|doi:10.1039/C8NJ05508D
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.cc1pzvh0
title: CCDC 1578783: Experimental Crystal Structure Determination

description: Related Article: Rong-Rong Zhu, Tao Wang, Da-Wei Wang, Tong Yan, Quan Wang, Hang-Xing Li, Zhe Xue, Jie Zhou, Lin Du, Qi-Hua Zhao|2019|New J.Chem.|43|1494|doi:10.1039/C8NJ05508D
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.cc1qcsmh
title: CCDC 1590257: Experimental Crystal Structure Determination

description: Related Article: Pilar Amo-Ochoa, Oscar Castillo, Esther Delgado, Ana Gallut, Elisa Hernández, Josefina Perles, Félix Zamora|2019|CrystEngComm|21|957|doi:10.1039/C8CE01594E
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.cc1qcsql
title: CCDC 1590260: Experimental Crystal Structure Determination

description: Related Article: Pilar Amo-Ochoa, Oscar Castillo, Esther Delgado, Ana Gallut, Elisa Hernández, Josefina Perles, Félix Zamora|2019|CrystEngComm|21|957|doi:10.1039/C8CE01594E
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.cc1qcsrm
title: CCDC 1590261: Experimental Crystal Structure Determination

description: Related Article: Pilar Amo-Ochoa, Oscar Castillo, Esther Delgado, Ana Gallut, Elisa Hernández, Josefina Perles, Félix Zamora|2019|CrystEngComm|21|957|doi:10.1039/C8CE01594E
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.cc1z6f7v
title: CCDC 1823427: Experimental Crystal Structure Determination

description: Related Article: Rajendhraprasad Tatikonda, Evgeny Bulatov, Zülal Özdemir, Nonappa, Matti Haukka|2019|Soft Matter|15|442|doi:10.1039/C8SM02006J
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.cc1z6f8w
title: CCDC 1823428: Experimental Crystal Structure Determination

description: Related Article: Rajendhraprasad Tatikonda, Evgeny Bulatov, Zülal Özdemir, Nonappa, Matti Haukka|2019|Soft Matter|15|442|doi:10.1039/C8SM02006J
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.cc1z6f9x
title: CCDC 1823429: Experimental Crystal Structure Determination

description: Related Article: Rajendhraprasad Tatikonda, Evgeny Bulatov, Zülal Özdemir, Nonappa, Matti Haukka|2019|Soft Matter|15|442|doi:10.1039/C8SM02006J
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.cc1z6fby
title: CCDC 1823430: Experimental Crystal Structure Determination

description: Related Article: Rajendhraprasad Tatikonda, Evgeny Bulatov, Zülal Özdemir, Nonappa, Matti Haukka|2019|Soft Matter|15|442|doi:10.1039/C8SM02006J
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.cc1z6fcz
title: CCDC 1823431: Experimental Crystal Structure Determination

description: Related Article: Rajendhraprasad Tatikonda, Evgeny Bulatov, Zülal Özdemir, Nonappa, Matti Haukka|2019|Soft Matter|15|442|doi:10.1039/C8SM02006J
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.cc1z6ff1
title: CCDC 1823433: Experimental Crystal Structure Determination

description: Related Article: Rajendhraprasad Tatikonda, Evgeny Bulatov, Zülal Özdemir, Nonappa, Matti Haukka|2019|Soft Matter|15|442|doi:10.1039/C8SM02006J
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.cc1zb8yj
title: CCDC 1827138: Experimental Crystal Structure Determination

description: Related Article: S. P. Petrosyants, A. B. Ilyukhin, N. N. Efimov, V. M. Novotortsev|2018|Koord.Khim.|44|660|doi:10.1134/S1070328418110064
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.cc1zb8zk
title: CCDC 1827139: Experimental Crystal Structure Determination

description: Related Article: S. P. Petrosyants, A. B. Ilyukhin, N. N. Efimov, V. M. Novotortsev|2018|Koord.Khim.|44|660|doi:10.1134/S1070328418110064
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.cc1zsl3g
title: CCDC 1840876: Experimental Crystal Structure Determination

description: Related Article: Zi-ao Zong, Chuan-bin Fan, Xia Zhang, Xiang-min Meng, Fan Jin, Yu-hua Fan|2019|CrystEngComm|21|673|doi:10.1039/C8CE01203B
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.cc209xz7
title: CCDC 1856589: Experimental Crystal Structure Determination

description: Related Article: Hong Huang, Wei Gao, Xiu-Mei Zhang, Ai-Mei Zhou, Jie-Ping Liu|2019|CrystEngComm|21|694|doi:10.1039/C8CE01762J
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.cc209y4f
title: CCDC 1856594: Experimental Crystal Structure Determination

description: Related Article: Hong Huang, Wei Gao, Xiu-Mei Zhang, Ai-Mei Zhou, Jie-Ping Liu|2019|CrystEngComm|21|694|doi:10.1039/C8CE01762J
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.cc20b2v9
title: CCDC 1856740: Experimental Crystal Structure Determination

description: Related Article: Svetlana P. Petrosyants, Andrey B. Ilyukhin, Andrey V. Gavrikov, Yana A. Mikhlina, Lada N. Puntus, Evgenia A. Varaksina, Nikolay N. Efimov, Vladimir M. Novotortsev|2019|Inorg.Chim.Acta|486|499|doi:10.1016/j.ica.2018.11.006
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.cc20jdxw
title: CCDC 1862818: Experimental Crystal Structure Determination

description: Related Article: Mingli Zhang, Hao Shi, Di Meng, Kai Chen, Rui-Lian Lin, Wen-Qi Sun, Jing-Xin Liu|2019|New J.Chem.|43|1487|doi:10.1039/C8NJ05298K
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.cc20jdyx
title: CCDC 1862819: Experimental Crystal Structure Determination

description: Related Article: Mingli Zhang, Hao Shi, Di Meng, Kai Chen, Rui-Lian Lin, Wen-Qi Sun, Jing-Xin Liu|2019|New J.Chem.|43|1487|doi:10.1039/C8NJ05298K
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.cc20kvq5
title: CCDC 1864207: Experimental Crystal Structure Determination

description: Related Article: Mingxue Yang, Xiao-Ning Li, Ji-Hui Jia, Xu-Lin Chen, Can-Zhong Lu|2019|Dalton Trans.|48|1179|doi:10.1039/C8DT04360D
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.cc20m45z
title: CCDC 1865430: Experimental Crystal Structure Determination

description: Related Article: Lei Xu, Liping Jiang, Shasha Li, Guofang Zhang, Weiqiang Zhang, Ziwei Gao|2019|New J.Chem.|43|1478|doi:10.1039/C8NJ05573D
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.cc20m460
title: CCDC 1865431: Experimental Crystal Structure Determination

description: Related Article: Lei Xu, Liping Jiang, Shasha Li, Guofang Zhang, Weiqiang Zhang, Ziwei Gao|2019|New J.Chem.|43|1478|doi:10.1039/C8NJ05573D
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.cc20s2d9
title: CCDC 1870180: Experimental Crystal Structure Determination

description: Related Article: Gao-Xiang Wang, Jianhao Yin, Jiapeng Li, Zhu-Bao Yin, Wen-Xiong Zhang, Zhenfeng Xi|2019|Inorg.Chem.Front.|6|428|doi:10.1039/C8QI01054D
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.cc20s342
title: CCDC 1870203: Experimental Crystal Structure Determination

description: Related Article: Gao-Xiang Wang, Jianhao Yin, Jiapeng Li, Zhu-Bao Yin, Wen-Xiong Zhang, Zhenfeng Xi|2019|Inorg.Chem.Front.|6|428|doi:10.1039/C8QI01054D
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.cc20s364
title: CCDC 1870205: Experimental Crystal Structure Determination

description: Related Article: Gao-Xiang Wang, Jianhao Yin, Jiapeng Li, Zhu-Bao Yin, Wen-Xiong Zhang, Zhenfeng Xi|2019|Inorg.Chem.Front.|6|428|doi:10.1039/C8QI01054D
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.cc21b2vb
title: CCDC 1886531: Experimental Crystal Structure Determination

description: Related Article: Anthony Linden, Christophe Weymuth|2018|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.cc21b3n5
title: CCDC 1886556: Experimental Crystal Structure Determination

description: Related Article: Anthony Linden, F. Helbling, Hans-Juergen Hansen|2018|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: 10.7910/dvn/3ozj2y/1b5ld4
title: CISEPA MEA Lee Bounds code.do

description: CISEPA MEA Lee Bounds code
DOI: 10.17632/j3myxxs7x5.1
title: Data for: A molecular dynamics approach to nanostructuring of particles produced via aerosol cationic photopolymerization

description: The topology files of the following molecules are given, [1] 2-ethylhexanol (isoh.itp) [2] Hexadecane (hexadecane.itp) [3] 2-octanone (2octanone.itp) [4] tri(ethylene glycol) divinyl ether (dve3.itp) [5] 3 units in series of DVE3 (dve3n3.itp) [6] 4 units in series of DVE3 (dve3n4.itp) Each topology file was created listing all possible bonded interactions including bonds, bond angles and dihedrals. Improper dihedrals were treated using harmonic potential. For each atom, non-bonded inter- and intra-molecular interactions were identified within the OPLS-AA library. The topology files, and the accuracy of the OPLS-AA force field, were validated by comparing the MD calculations of bulk density and dynamic viscosity with experimental values, resulting in excellent agreement. The bulk density was evaluated using the Gromacs tool, gmx energy, whereas viscosities were evaluated using gmx tcaf, which estimates it from autocorrelation functions of the transverse currents.