cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/cc10mlmv
title: CCDC 942357: Experimental Crystal Structure Determination

description: Related Article: Donghui Yang,  Suzhi Li,  Pengtao Ma,  Jingping Wang,  and Jingyang Niu|2013|Inorg.Chem.|52|14034|doi:10.1021/ic401804e
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/cc10727k
title: CCDC 930317: Experimental Crystal Structure Determination

description: Related Article: Diana Over,  Xianshun Zeng,  Claudia Bornholdt,  Jérôme Marrot,  and Olivia Reinaud|2013|Inorg.Chem.|52|14089|doi:10.1021/ic4018486
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/cc10mlnw
title: CCDC 942358: Experimental Crystal Structure Determination

description: Related Article: Donghui Yang,  Suzhi Li,  Pengtao Ma,  Jingping Wang,  and Jingyang Niu|2013|Inorg.Chem.|52|14034|doi:10.1021/ic401804e
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/cc10728l
title: CCDC 930318: Experimental Crystal Structure Determination

description: Related Article: Diana Over,  Xianshun Zeng,  Claudia Bornholdt,  Jérôme Marrot,  and Olivia Reinaud|2013|Inorg.Chem.|52|14089|doi:10.1021/ic4018486
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/cc10mlpx
title: CCDC 942359: Experimental Crystal Structure Determination

description: Related Article: Donghui Yang,  Suzhi Li,  Pengtao Ma,  Jingping Wang,  and Jingyang Niu|2013|Inorg.Chem.|52|14034|doi:10.1021/ic401804e
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/ccz3fhz
title: CCDC 897031: Experimental Crystal Structure Determination

description: Related Article: Pradip Ghosh,  Subhas Samanta,  Suman K Roy,  Sucheta Joy,  Tobias Krämer,  John E. McGrady,  and Sreebrata Goswami|2013|Inorg.Chem.|52|14040|doi:10.1021/ic4018079
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/ccz3fj0
title: CCDC 897032: Experimental Crystal Structure Determination

description: Related Article: Pradip Ghosh,  Subhas Samanta,  Suman K Roy,  Sucheta Joy,  Tobias Krämer,  John E. McGrady,  and Sreebrata Goswami|2013|Inorg.Chem.|52|14040|doi:10.1021/ic4018079
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/ccz3fk1
title: CCDC 897033: Experimental Crystal Structure Determination

description: Related Article: Pradip Ghosh,  Subhas Samanta,  Suman K Roy,  Sucheta Joy,  Tobias Krämer,  John E. McGrady,  and Sreebrata Goswami|2013|Inorg.Chem.|52|14040|doi:10.1021/ic4018079
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/ccz3fl2
title: CCDC 897034: Experimental Crystal Structure Determination

description: Related Article: Pradip Ghosh,  Subhas Samanta,  Suman K Roy,  Sucheta Joy,  Tobias Krämer,  John E. McGrady,  and Sreebrata Goswami|2013|Inorg.Chem.|52|14040|doi:10.1021/ic4018079
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.k94mrx
title: Occurrence Download

description: A dataset containing 1768 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Callicarpa bodinieri",
 "HasCoordinate is true"
 ]
}

 The dataset includes 1768 records from 41 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0050012-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/cc11zg4m
title: CCDC 982580: Experimental Crystal Structure Determination

description: Related Article: Pradip Ghosh,  Subhas Samanta,  Suman K Roy,  Sucheta Joy,  Tobias Krämer,  John E. McGrady,  and Sreebrata Goswami|2013|Inorg.Chem.|52|14040|doi:10.1021/ic4018079
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/ccz3fm3
title: CCDC 897035: Experimental Crystal Structure Determination

description: Related Article: Pradip Ghosh,  Subhas Samanta,  Suman K Roy,  Sucheta Joy,  Tobias Krämer,  John E. McGrady,  and Sreebrata Goswami|2013|Inorg.Chem.|52|14040|doi:10.1021/ic4018079
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: 10.25505/fiz.icsd.cc11zgfx
title: CSD 982589: Experimental Crystal Structure Determination

description: Related Article: David D. Schnaars and Richard E. Wilson|2013|Inorg.Chem.|52|14138|doi:10.1021/ic401991n
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc11zggy
title: CSD 982590: Experimental Crystal Structure Determination

description: Related Article: David D. Schnaars and Richard E. Wilson|2013|Inorg.Chem.|52|14138|doi:10.1021/ic401991n
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc11zghz
title: CCDC 982591: Experimental Crystal Structure Determination

description: Related Article: David D. Schnaars and Richard E. Wilson|2013|Inorg.Chem.|52|14138|doi:10.1021/ic401991n
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: 10.25505/fiz.icsd.cc11zgj0
title: CSD 982592: Experimental Crystal Structure Determination

description: Related Article: David D. Schnaars and Richard E. Wilson|2013|Inorg.Chem.|52|14138|doi:10.1021/ic401991n
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc11zgk1
title: CSD 982593: Experimental Crystal Structure Determination

description: Related Article: David D. Schnaars and Richard E. Wilson|2013|Inorg.Chem.|52|14138|doi:10.1021/ic401991n
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc11zgl2
title: CCDC 982594: Experimental Crystal Structure Determination

description: Related Article: David D. Schnaars and Richard E. Wilson|2013|Inorg.Chem.|52|14138|doi:10.1021/ic401991n
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/cc11zg5n
title: CCDC 982581: Experimental Crystal Structure Determination

description: Related Article: Laleh Tahsini,  Sarah E. Specht,  June S. Lum,  Joshua J. M. Nelson,  Alexandra F. Long,  James A. Golen,  Arnold L. Rheingold,  and Linda H. Doerrer|2013|Inorg.Chem.|52|14050|doi:10.1021/ic401837y
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/cc11zg6p
title: CCDC 982582: Experimental Crystal Structure Determination

description: Related Article: Laleh Tahsini,  Sarah E. Specht,  June S. Lum,  Joshua J. M. Nelson,  Alexandra F. Long,  James A. Golen,  Arnold L. Rheingold,  and Linda H. Doerrer|2013|Inorg.Chem.|52|14050|doi:10.1021/ic401837y
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/cc11zg7q
title: CCDC 982583: Experimental Crystal Structure Determination

description: Related Article: Laleh Tahsini,  Sarah E. Specht,  June S. Lum,  Joshua J. M. Nelson,  Alexandra F. Long,  James A. Golen,  Arnold L. Rheingold,  and Linda H. Doerrer|2013|Inorg.Chem.|52|14050|doi:10.1021/ic401837y
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/cc11zgp5
title: CCDC 982597: Experimental Crystal Structure Determination

description: Related Article: Yiseul Shin,  Dong Woo Lee,  Kwang Yong Choi,  Hyun-Joo Koo,  and Kang Min Ok|2013|Inorg.Chem.|52|14224|doi:10.1021/ic4021564
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.jgcrft
title: Occurrence Download

description: A dataset containing 224 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Amphibia",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 2000",
 "Geometry POLYGON ((-90.53266 16.07218, -89.53266 16.07218, -89.53266 17.07218, -90.53266 17.07218, -90.53266 16.07218))"
 ]
}

 The dataset includes 224 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0050013-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/cc11zg8r
title: CCDC 982584: Experimental Crystal Structure Determination

description: Related Article: Laleh Tahsini,  Sarah E. Specht,  June S. Lum,  Joshua J. M. Nelson,  Alexandra F. Long,  James A. Golen,  Arnold L. Rheingold,  and Linda H. Doerrer|2013|Inorg.Chem.|52|14050|doi:10.1021/ic401837y
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/cc11zg9s
title: CCDC 982585: Experimental Crystal Structure Determination

description: Related Article: Laleh Tahsini,  Sarah E. Specht,  June S. Lum,  Joshua J. M. Nelson,  Alexandra F. Long,  James A. Golen,  Arnold L. Rheingold,  and Linda H. Doerrer|2013|Inorg.Chem.|52|14050|doi:10.1021/ic401837y
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/cc11zgbt
title: CCDC 982586: Experimental Crystal Structure Determination

description: Related Article: Laleh Tahsini,  Sarah E. Specht,  June S. Lum,  Joshua J. M. Nelson,  Alexandra F. Long,  James A. Golen,  Arnold L. Rheingold,  and Linda H. Doerrer|2013|Inorg.Chem.|52|14050|doi:10.1021/ic401837y
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/cc11zgcv
title: CCDC 982587: Experimental Crystal Structure Determination

description: Related Article: Laleh Tahsini,  Sarah E. Specht,  June S. Lum,  Joshua J. M. Nelson,  Alexandra F. Long,  James A. Golen,  Arnold L. Rheingold,  and Linda H. Doerrer|2013|Inorg.Chem.|52|14050|doi:10.1021/ic401837y
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/cc11zgdw
title: CCDC 982588: Experimental Crystal Structure Determination

description: Related Article: Laleh Tahsini,  Sarah E. Specht,  June S. Lum,  Joshua J. M. Nelson,  Alexandra F. Long,  James A. Golen,  Arnold L. Rheingold,  and Linda H. Doerrer|2013|Inorg.Chem.|52|14050|doi:10.1021/ic401837y
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/cc113mlc
title: CCDC 956802: Experimental Crystal Structure Determination

description: Related Article: Chanel F. Leong,  Bun Chan,  Thomas B. Faust,  Peter Turner,  and Deanna M. D’Alessandro|2013|Inorg.Chem.|52|14246|doi:10.1021/ic402173z
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: 10.6084/m9.figshare.27324115
title: Emerging computational and machine learning methodologies for proton-conducting oxides: materials discovery and fundamental understanding

description: This review presents computational and machine learning methodologies developed during a 5-year research project on proton-conducting oxides. The main goal was to develop methodologies that could assist in materials discovery or provide new insights into complex proton-conducting oxides. Through these methodologies, three new proton-conducting oxides, including both perovskite and non-perovskites, have been discovered. In terms of gaining insights, octahedral tilt/distortions and oxygen affinity are found to play a critical role in determining proton diffusivities and conductivities in doped barium zirconates. Replica exchange Monte Carlo approach has enabled to reveal realistic defect configurations, hydration behavior, and their temperature dependence in oxides. Our approach ‘Materials discovery through interpretation’, which integrates new insights or tendencies obtained from computations and experiments to sequential explorations of materials, has also identified perovskites that exhibit proton conductivity exceeding 0.01 S/cm and high chemical stability at 300  ∘C. This review presents new computational and machine learning methodologies that identified three new proton-conducting oxides and two fast proton conductors. It also provides new insights into hydration, proton diffusion, and proton conduction.
DOI: 10.6084/m9.figshare.27324115.v2
title: Emerging computational and machine learning methodologies for proton-conducting oxides: materials discovery and fundamental understanding

description: This review presents computational and machine learning methodologies developed during a 5-year research project on proton-conducting oxides. The main goal was to develop methodologies that could assist in materials discovery or provide new insights into complex proton-conducting oxides. Through these methodologies, three new proton-conducting oxides, including both perovskite and non-perovskites, have been discovered. In terms of gaining insights, octahedral tilt/distortions and oxygen affinity are found to play a critical role in determining proton diffusivities and conductivities in doped barium zirconates. Replica exchange Monte Carlo approach has enabled to reveal realistic defect configurations, hydration behavior, and their temperature dependence in oxides. Our approach ‘Materials discovery through interpretation’, which integrates new insights or tendencies obtained from computations and experiments to sequential explorations of materials, has also identified perovskites that exhibit proton conductivity exceeding 0.01 S/cm and high chemical stability at 300  ∘C. This review presents new computational and machine learning methodologies that identified three new proton-conducting oxides and two fast proton conductors. It also provides new insights into hydration, proton diffusion, and proton conduction.
DOI: 10.5517/cc1056v7
title: CCDC 928538: Experimental Crystal Structure Determination

description: Related Article: Subhashree P. Dash,  Sagarika Pasayat,  Saswati Bhakat,  Satabdi Roy,  Rupam Dinda,  Edward R. T. Tiekink,  Subhadip Mukhopadhyay,  Sujit K. Bhutia,  Manasi R. Hardikar,  Bimba N. Joshi,  Yogesh P. Patil,  and M. Nethaji|2013|Inorg.Chem.|52|14096|doi:10.1021/ic401866x
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/cc1056w8
title: CCDC 928539: Experimental Crystal Structure Determination

description: Related Article: Subhashree P. Dash,  Sagarika Pasayat,  Saswati Bhakat,  Satabdi Roy,  Rupam Dinda,  Edward R. T. Tiekink,  Subhadip Mukhopadhyay,  Sujit K. Bhutia,  Manasi R. Hardikar,  Bimba N. Joshi,  Yogesh P. Patil,  and M. Nethaji|2013|Inorg.Chem.|52|14096|doi:10.1021/ic401866x
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.