cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/cc11z7x5
title: CCDC 982387: Experimental Crystal Structure Determination

description: Related Article: Anne C. Meister, Arantxa Encinas, Hülya Sahin, Emilie M. C. Singer, Carl F. Nising, Martin Nieger, Stefan Bräse|2014|Eur.J.Org.Chem.|2014|4861|doi:10.1002/ejoc.201402083
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/cc11z7y6
title: CCDC 982388: Experimental Crystal Structure Determination

description: Related Article: Anne C. Meister, Arantxa Encinas, Hülya Sahin, Emilie M. C. Singer, Carl F. Nising, Martin Nieger, Stefan Bräse|2014|Eur.J.Org.Chem.|2014|4861|doi:10.1002/ejoc.201402083
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/cc11z7z7
title: CCDC 982389: Experimental Crystal Structure Determination

description: Related Article: Anne C. Meister, Arantxa Encinas, Hülya Sahin, Emilie M. C. Singer, Carl F. Nising, Martin Nieger, Stefan Bräse|2014|Eur.J.Org.Chem.|2014|4861|doi:10.1002/ejoc.201402083
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/cc10vj5k
title: CCDC 949008: Experimental Crystal Structure Determination

description: Related Article: Gabriella Tamasi, Maddalena Corsini, Renzo Cini|2014|Z.Anorg.Allg.Chem.|640|952|doi:10.1002/zaac.201300647
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.8nh6mu
title: Occurrence Download

description: A dataset containing 5515 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "or" : [
 {
 "not" : {
 "PhylumKey" : [
 "is Chordata"
 ]
 }
 },
 "ClassKey is one of (Thaliacea, Ascidiacea, Appendicularia, Leptocardii)"
 ]
 },
 "KingdomKey is Animalia",
 "DatasetKey is one of (University of Texas, Biodiversity Center, Entomology Collection (UTIC), Texas A&M University Insect Collection, iNaturalist Research-grade Observations, NMNH Extant Specimen Records (USNM, US), Museum at Texas Tech University Invertebrate Zoology Collection, UTEP Insects (Arctos), Snow Entomological Museum Collection)",
 "OccurrenceStatus is Present",
 "Modified is greater than or equal to 2025-10-16"
 ]
}

 The dataset includes 5515 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0050010-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/cc10vj6l
title: CCDC 949009: Experimental Crystal Structure Determination

description: Related Article: Gabriella Tamasi, Maddalena Corsini, Renzo Cini|2014|Z.Anorg.Allg.Chem.|640|952|doi:10.1002/zaac.201300647
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/cc119vmt
title: CCDC 962786: Experimental Crystal Structure Determination

description: Related Article: Chandan Mukherjee, Veronika Hoeke, Anja Stammler, Hartmut Bögge, Jürgen Schnack, Thorsten Glaser|2014|Dalton Trans.|43|9690|doi:10.1039/C4DT00670D
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/cc11l4lc
title: CCDC 970752: Experimental Crystal Structure Determination

description: Related Article: Cédric Reuter, Margarethe Kleczka, Sarah de Mazancourt, Jörg-Martin Neudörfl, Ronald Kühne, Hans-Günther Schmalz|2014|Eur.J.Org.Chem.|2014|2664|doi:10.1002/ejoc.201301875
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.cc11z84f
title: CCDC 982394: Experimental Crystal Structure Determination

description: Related Article: Wen-qiong Wang, Li-jiang Xuan|2016|Phytochemistry|122|119|doi:10.1016/j.phytochem.2015.11.014
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/cc11dczs
title: CCDC 965215: Experimental Crystal Structure Determination

description: Related Article: Mattia Veronelli, Nicole Kindermann, Sebastian Dechert, Steffen Meyer, Franc Meyer|2014|Inorg.Chem.|53|2333|doi:10.1021/ic5001792
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/cc11dd0v
title: CCDC 965216: Experimental Crystal Structure Determination

description: Related Article: Mattia Veronelli, Nicole Kindermann, Sebastian Dechert, Steffen Meyer, Franc Meyer|2014|Inorg.Chem.|53|2333|doi:10.1021/ic5001792
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.17417016
title: interior_lookup_tables/1TPa-dK09-elec-free/MgSiO3_Wolf_Bower_2018_1TPa

description: The material properties shown here are computed using the RTpress EOS developed by Wolf and Bower (2018). This high P–T EOS applies a generalized Rosenfeld–Tarazona model as a thermal perturbation to isothermal and adiabatic reference compression curves, resulting in a thermodynamically consistent formulation. RTpress remains accurate over a wide P-T range and depends on a limited number of physical parameters, which are calibrated from experimental or simulation data. In this case, we use their parameterization for MgSiO₃ melt, representing a rocky mantle composition up to 1TPa. The material properties of MgSiO₃ solid are determined by Mosenfelder et al. (2009). All the tables contained in this record are in a regular grid. P[0,1TPa] and T[0,16500K]
DOI: 10.5281/zenodo.17417017
title: interior_lookup_tables/1TPa-dK09-elec-free/MgSiO3_Wolf_Bower_2018_1TPa

description: The material properties shown here are computed using the RTpress EOS developed by Wolf and Bower (2018). This high P–T EOS applies a generalized Rosenfeld–Tarazona model as a thermal perturbation to isothermal and adiabatic reference compression curves, resulting in a thermodynamically consistent formulation. RTpress remains accurate over a wide P-T range and depends on a limited number of physical parameters, which are calibrated from experimental or simulation data. In this case, we use their parameterization for MgSiO₃ melt, representing a rocky mantle composition up to 1TPa. The material properties of MgSiO₃ solid are determined by Mosenfelder et al. (2009). All the tables contained in this record are in a regular grid. P[0,1TPa] and T[0,16500K]
DOI: 10.5517/cc11dd1w
title: CCDC 965217: Experimental Crystal Structure Determination

description: Related Article: Mattia Veronelli, Nicole Kindermann, Sebastian Dechert, Steffen Meyer, Franc Meyer|2014|Inorg.Chem.|53|2333|doi:10.1021/ic5001792
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.cc11z86h
title: CCDC 982396: Experimental Crystal Structure Determination

description: Related Article: I. V. Ukrainets, L. A. Petrushova, N. L. Bereznyakova|2015|Pharm.Chem.J.|49|519|doi:10.1007/s11094-015-1319-4
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/cc11z87j
title: CCDC 982397: Experimental Crystal Structure Determination

description: Related Article: Richard O. Reithmeier, Simon Meister, Bernhard Rieger, Armin Siebel, Martin Tschurl, Ulrich Heiz, Eberhardt Herdtweck|2014|Dalton Trans.|43|13259|doi:10.1039/C4DT01717J
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/cc11z88k
title: CCDC 982398: Experimental Crystal Structure Determination

description: Related Article: Madhu Chennapuram, Narender Reddy Emmadi, Chiranjeevi Bingi, Jagadeesh Babu Nanubolu, Krishnaiah Atmakur|2014|Green Chemistry|16|3237|doi:10.1039/C4GC00388H
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/cc11z8gr
title: CCDC 982404: Experimental Crystal Structure Determination

description: Related Article: Gui-lin Zhuang, Li Tan, Wu-lin Chen, Jia-qi Bai, Xing Zhong, Jian-guo Wang|2014|CrystEngComm|16|6963|doi:10.1039/C4CE00573B
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/cc11z8hs
title: CCDC 982405: Experimental Crystal Structure Determination

description: Related Article: Gui-lin Zhuang, Li Tan, Wu-lin Chen, Jia-qi Bai, Xing Zhong, Jian-guo Wang|2014|CrystEngComm|16|6963|doi:10.1039/C4CE00573B
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/cc11z8jt
title: CCDC 982406: Experimental Crystal Structure Determination

description: Related Article: Gui-lin Zhuang, Li Tan, Wu-lin Chen, Jia-qi Bai, Xing Zhong, Jian-guo Wang|2014|CrystEngComm|16|6963|doi:10.1039/C4CE00573B
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/cc11z8kv
title: CCDC 982407: Experimental Crystal Structure Determination

description: Related Article: Gui-lin Zhuang, Li Tan, Wu-lin Chen, Jia-qi Bai, Xing Zhong, Jian-guo Wang|2014|CrystEngComm|16|6963|doi:10.1039/C4CE00573B
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/cc11z8lw
title: CCDC 982408: Experimental Crystal Structure Determination

description: Related Article: Gui-lin Zhuang, Li Tan, Wu-lin Chen, Jia-qi Bai, Xing Zhong, Jian-guo Wang|2014|CrystEngComm|16|6963|doi:10.1039/C4CE00573B
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/cc11z8mx
title: CCDC 982409: Experimental Crystal Structure Determination

description: Related Article: Yu Zhang, Weiwei Ju, Xiao Xu, Yun Lv, Dunru Zhu, Yan Xu|2014|CrystEngComm|16|5681|doi:10.1039/C4CE00513A
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/cc11z8ny
title: CCDC 982410: Experimental Crystal Structure Determination

description: Related Article: Yu Zhang, Weiwei Ju, Xiao Xu, Yun Lv, Dunru Zhu, Yan Xu|2014|CrystEngComm|16|5681|doi:10.1039/C4CE00513A
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/cc11z8fq
title: CCDC 982403: Experimental Crystal Structure Determination

description: Related Article: Thomas Hjelmgaard, Olivier Roy, Lionel Nauton, Malika El-Ghozzi, Daniel Avignant, Claude Didierjean, Claude Taillefumier, Sophie Faure|2014|Chem.Commun.|50|3564|doi:10.1039/C4CC00821A
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/cc11z8pz
title: CCDC 982411: Experimental Crystal Structure Determination

description: Related Article: Keiji Mori, Manari Wakazawa, Takahiko Akiyama|2014|Chemical Science|5|1799|doi:10.1039/C3SC53542H
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/cc11z8q0
title: CCDC 982412: Experimental Crystal Structure Determination

description: Related Article: W.M. Hützler, E. Egert|2014|Acta Crystallogr.,Sect.C:Cryst.Struct.Chem.|70|241|doi:10.1107/S2053229614001387
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.17380433
title: SI for "Watching Pseudomonas mevalonii HMG-CoA Reductase in Action"

description: FIles for the recreation of simulations involving the sulfur of CoA being protonated and deprotonated, with H381 being appropriately protonated in adjustment to the former's state. Input files for all ligands and the protein, as well as average files of the last 500 frames of each simulation, three each of CoA's sulfur being protonated and deprotonated.
DOI: 10.5281/zenodo.17380434
title: SI for "Watching Pseudomonas mevalonii HMG-CoA Reductase in Action"

description: FIles for the recreation of simulations involving the sulfur of CoA being protonated and deprotonated, with H381 being appropriately protonated in adjustment to the former's state. Input files for all ligands and the protein, as well as average files of the last 500 frames of each simulation, three each of CoA's sulfur being protonated and deprotonated.
DOI: 10.5517/cc11z8r1
title: CCDC 982413: Experimental Crystal Structure Determination

description: Related Article: W.M. Hützler, E. Egert|2014|Acta Crystallogr.,Sect.C:Cryst.Struct.Chem.|70|241|doi:10.1107/S2053229614001387
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/cc11z8s2
title: CCDC 982414: Experimental Crystal Structure Determination

description: Related Article: W.M. Hützler, E. Egert|2014|Acta Crystallogr.,Sect.C:Cryst.Struct.Chem.|70|241|doi:10.1107/S2053229614001387
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/cc11z8t3
title: CCDC 982415: Experimental Crystal Structure Determination

description: Related Article: W.M. Hützler, E. Egert|2014|Acta Crystallogr.,Sect.C:Cryst.Struct.Chem.|70|241|doi:10.1107/S2053229614001387
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/cc11z8v4
title: CCDC 982416: Experimental Crystal Structure Determination

description: Related Article: W.M. Hützler, E. Egert|2014|Acta Crystallogr.,Sect.C:Cryst.Struct.Chem.|70|241|doi:10.1107/S2053229614001387
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/cc11z8w5
title: CCDC 982417: Experimental Crystal Structure Determination

description: Related Article: W.M. Hützler, E. Egert|2014|Acta Crystallogr.,Sect.C:Cryst.Struct.Chem.|70|241|doi:10.1107/S2053229614001387
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/cc11z8x6
title: CCDC 982418: Experimental Crystal Structure Determination

description: Related Article: W.M. Hützler, E. Egert|2014|Acta Crystallogr.,Sect.C:Cryst.Struct.Chem.|70|241|doi:10.1107/S2053229614001387
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.