cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2n25lj
title: CCDC 2444957: Experimental Crystal Structure Determination

description: Related Article: Hongwei Zhu, Lianghe Sun, Ming Lu, Yuangang Xu|2025|J.Mol.Struct.|1345|143111|doi:10.1016/j.molstruc.2025.143111
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.cc2n25mk
title: CCDC 2444958: Experimental Crystal Structure Determination

description: Related Article: Hongwei Zhu, Lianghe Sun, Ming Lu, Yuangang Xu|2025|J.Mol.Struct.|1345|143111|doi:10.1016/j.molstruc.2025.143111
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.cc2n25nl
title: CCDC 2444959: Experimental Crystal Structure Determination

description: Related Article: Hongwei Zhu, Lianghe Sun, Ming Lu, Yuangang Xu|2025|J.Mol.Struct.|1345|143111|doi:10.1016/j.molstruc.2025.143111
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.cc2n25pm
title: CCDC 2444960: Experimental Crystal Structure Determination

description: Related Article: Hongwei Zhu, Lianghe Sun, Ming Lu, Yuangang Xu|2025|J.Mol.Struct.|1345|143111|doi:10.1016/j.molstruc.2025.143111
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.6a9ekq
title: Occurrence Download

description: A dataset containing 1782 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Poa pratensis",
 "Country is Japan",
 "HasCoordinate is true"
 ]
}

 The dataset includes 1782 records from 49 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0027323-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.16311516
title: ACEM 10136 - supplementary data
DOI: 10.5281/zenodo.16311517
title: ACEM 10136 - supplementary data
DOI: 10.5281/zenodo.16311317
title: Dataset: Stoichiometric C/N shapes fungal and bacterial necromass accumulation across ecosystems
DOI: 10.5281/zenodo.16311318
title: Dataset: Stoichiometric C/N shapes fungal and bacterial necromass accumulation across ecosystems
DOI: 10.15468/dl.3jfe7y
title: Occurrence Download

description: A dataset containing 291 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Problema bulenta"
 ]
}

 The dataset includes 291 records from 13 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0027327-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.d6c27a
title: Occurrence Download

description: A dataset containing 150 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Akebia quinata",
 "Country is New Zealand",
 "HasCoordinate is true"
 ]
}

 The dataset includes 150 records from 7 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0027325-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.35ucbq
title: Occurrence Download

description: A dataset containing 1401 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Akebia quinata",
 "Country is United States of America",
 "HasCoordinate is true"
 ]
}

 The dataset includes 1401 records from 53 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0027326-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.9xknwx
title: Occurrence Download

description: A dataset containing 19086 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Ranunculus ficaria"
 ]
}

 The dataset includes 19086 records from 79 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0027328-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.fn3dwe
title: Occurrence Download

description: A dataset containing 18775 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Dactylis glomerata",
 "Country is United States of America",
 "HasCoordinate is true"
 ]
}

 The dataset includes 18775 records from 212 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0027329-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.qyx55t
title: Occurrence Download

description: A dataset containing 273 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((102.37961 22.85319,101.16927 22.55079,99.83285 21.07601,99.35375 20.17926,101.01797 18.8722,101.2197 17.57891,103.43866 17.41056,104.1447 15.79161,105.1281 13.86603,106.89318 13.76809,108.68348 14.37955,108.68348 16.63904,106.79232 17.60294,105.96021 19.30113,105.35504 20.51026,104.64901 21.54583,103.36302 22.50421,102.37961 22.85319))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Elephas maximus"
 ]
}

 The dataset includes 273 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0027330-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.qaqteb
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 "BasisOfRecord is one of (Human Observation, Machine Observation, Occurrence evidence, Observation)",
 "TaxonKey is one of (Egretta thula)",
 "Country is one of (Afghanistan, Armenia, Azerbaijan, Bahrain, Bangladesh, Bhutan, Brunei Darussalam, Cambodia, China, Cyprus, Georgia, Hong Kong, India, Indonesia, Iran (Islamic Republic of), Iraq, Israel, Japan, Jordan, Kazakhstan, Korea (Democratic People’s Republic of), Korea, Republic of, Kuwait, Kyrgyzstan, Lao People’s Democratic Republic, Lebanon, Macao, Malaysia, Maldives, Mongolia, Myanmar, Nepal, Oman, Pakistan, Palestine, State of, Philippines, Qatar, Saudi Arabia, Singapore, Sri Lanka, Syrian Arab Republic, Tajikistan, Thailand, Timor-Leste, Türkiye, Turkmenistan, United Arab Emirates, Uzbekistan, Viet Nam, Yemen)"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0027334-250717081556266/datasets/export for details.
DOI: 10.15468/dl.sjfne7
title: Occurrence Download

description: A dataset containing 564 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Crassocephalum montuosum",
 "HasCoordinate is true",
 "Geometry POLYGON ((-17.66889 -35.11691, 51.34702 -35.11691, 51.34702 37.62, -17.66889 37.62, -17.66889 -35.11691))"
 ]
}

 The dataset includes 564 records from 37 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0027331-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.652yud
title: Occurrence Download

description: A dataset containing 276 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Ceropegia cumingiana"
 ]
}

 The dataset includes 276 records from 30 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0027335-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.kud4fv
title: Occurrence Download

description: A dataset containing 3155 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Opuntia galapageia"
 ]
}

 The dataset includes 3155 records from 33 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0027337-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.zy9zv2
title: Occurrence Download

description: A dataset containing 4233 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Pakistan",
 "Geometry POLYGON((74.64811 35.38709,74.50042 35.4479,74.32088 34.83107,75.09409 34.77026,75.32286 34.79053,75.77752 34.89478,75.71381 35.17858,75.44449 35.35523,74.93481 35.62166,74.64811 35.38709))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Fungi"
 ]
}

 The dataset includes 4233 records from 8 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0027336-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.aactwj
title: Occurrence Download

description: A dataset containing 12196 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Poa pratensis",
 "Country is United States of America",
 "HasCoordinate is true"
 ]
}

 The dataset includes 12196 records from 220 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0027338-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.xp3spn
title: Occurrence Download

description: A dataset containing 6823 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Salvelinus fontinalis",
 "Country is Canada",
 "HasCoordinate is true"
 ]
}

 The dataset includes 6823 records from 39 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0027340-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.jcf3zw
title: Occurrence Download

description: A dataset containing 9 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Salvelinus fontinalis",
 "Country is Chile",
 "HasCoordinate is true"
 ]
}

 The dataset includes 9 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0027341-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.7mej9e
title: Occurrence Download

description: A dataset containing 3070 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Centaurea linifolia"
 ]
}

 The dataset includes 3070 records from 71 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0027343-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.8u2j7e
title: Occurrence Download

description: A dataset containing 50 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Eomecon chionantha",
 "Country is New Zealand",
 "HasCoordinate is true"
 ]
}

 The dataset includes 50 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0027344-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.yc24sy
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 "BasisOfRecord is one of (Human Observation, Machine Observation, Occurrence evidence, Observation)",
 "TaxonKey is one of (Egretta thula)",
 "Country is one of (American Samoa, Australia, Christmas Island, Cocos (Keeling) Islands, Cook Islands, Fiji, French Polynesia, Guam, Heard Island and McDonald Islands, Kiribati, Marshall Islands, Micronesia (Federated States of), Nauru, New Caledonia, New Zealand, Niue, Norfolk Island, Northern Mariana Islands, Palau, Papua New Guinea, Pitcairn, Samoa, Solomon Islands, Tokelau, Tonga, Tuvalu, United States Minor Outlying Islands, Vanuatu, Wallis and Futuna)"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0027345-250717081556266/datasets/export for details.
DOI: 10.15468/dl.gghf5m
title: Occurrence Download

description: A dataset containing 129 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Digitaria sanguinalis",
 "Country is Brazil",
 "HasCoordinate is true"
 ]
}

 The dataset includes 129 records from 33 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0027347-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.rnwzjm
title: Occurrence Download

description: A dataset containing 122 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Digitaria sanguinalis",
 "Country is Argentina",
 "HasCoordinate is true"
 ]
}

 The dataset includes 122 records from 11 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0027346-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.3hc6nw
title: Occurrence Download

description: A dataset containing 5 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Digitaria sanguinalis",
 "Country is Chile",
 "HasCoordinate is true"
 ]
}

 The dataset includes 5 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0027348-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.djbqkf
title: Occurrence Download

description: A dataset containing 476 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Crassocephalum vitellinum",
 "HasCoordinate is true",
 "Geometry POLYGON ((-17.66889 -35.11691, 51.34702 -35.11691, 51.34702 37.62, -17.66889 37.62, -17.66889 -35.11691))"
 ]
}

 The dataset includes 476 records from 32 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0027349-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.9cbkhu
title: Occurrence Download

description: A dataset containing 339 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Ceropegia woodii"
 ]
}

 The dataset includes 339 records from 86 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0027350-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.6jm6dg
title: Occurrence Download

description: A dataset containing 13912 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Lophura swinhoii"
 ]
}

 The dataset includes 13912 records from 94 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0027351-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.z6cngm
title: Occurrence Download

description: A dataset containing 273 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((102.37961 22.85319,101.16927 22.55079,99.83285 21.07601,99.35375 20.17926,101.01797 18.8722,101.2197 17.57891,103.43866 17.41056,104.1447 15.79161,105.1281 13.86603,106.89318 13.76809,108.68348 14.37955,108.68348 16.63904,106.79232 17.60294,105.96021 19.30113,105.35504 20.51026,104.64901 21.54583,103.36302 22.50421,102.37961 22.85319))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Elephas maximus"
 ]
}

 The dataset includes 273 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0027352-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.xg8n7s
title: Occurrence Download

description: A dataset containing 837 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Opuntia elatior"
 ]
}

 The dataset includes 837 records from 91 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0027353-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.6084/m9.figshare.29617163
title: Minimal data set.xlsx

description: Minimal data set (CaOx crystal nuclei are formed in rat outer cortex proximal tubules by a potential fibrinogen-dependent mechanism)
DOI: 10.6084/m9.figshare.29617163.v1
title: Minimal data set.xlsx

description: Minimal data set (CaOx crystal nuclei are formed in rat outer cortex proximal tubules by a potential fibrinogen-dependent mechanism)
DOI: 10.15468/dl.28ny26
title: Occurrence Download

description: A dataset containing 19070 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Aedes aegypti",
 "Year 1980-2010"
 ]
}

 The dataset includes 19070 records from 21 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0027354-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.14800299
title: Method Names in Jupyter Notebooks: An Exploratory Study

description: This is the dataset for the paper: Method Names in Jupyter Notebooks: An Exploratory Study

This paper was accepted for publication at the 33rd IEEE/ACM International Conference on Program Comprehension (ICPC 2025) - Research Track

Preprint: https://arxiv.org/abs/2504.20330
DOI: 10.5281/zenodo.14800298
title: Method Names in Jupyter Notebooks: An Exploratory Study

description: This is the dataset for the paper: Method Names in Jupyter Notebooks: An Exploratory Study

This paper was accepted for publication at the 33rd IEEE/ACM International Conference on Program Comprehension (ICPC 2025) - Research Track

Preprint: https://arxiv.org/abs/2504.20330
DOI: 10.15468/dl.5p9b25
title: Occurrence Download

description: A dataset containing 1380 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Crossoptilon crossoptilon"
 ]
}

 The dataset includes 1380 records from 48 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0027355-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.6084/m9.figshare.29617187
title: Polyurethane-Inspired CO<sub>2</sub> Chemisorbent: Ab Initio Reaction Profiles

description: Polyurethane (PU) and its numerous fine-tuned derivatives are widely employed as CO<sub>2</sub> scavengers thanks to (1) physisorption and (2) functionalization of the PU backbone with other CO<sub>2</sub> sorbents. In the present work, it has been unraveled why PU cannot exhibit CO<sub>2</sub> chemisorption, despite possessing the nitrogen docking sites and exhibiting strong electrostatic sorbent-sorbate interactions. Furthermore, a few types of spatial separation of the active sorption sites have been proposed to unleash the chemisorption functionality of PU. By comparing various structural modifications of PU by using the in-silico methodology, we have identified that CO<sub>2</sub> chemisorption by PU takes place in the case of implementing methyl and ethyl fragments between the oxygen and nitrogen atoms of PU. Herewith, the introduction of the ethyl moiety even makes CO<sub>2</sub> chemisorption energetically favorable relative to physisorption. The reported specific progress on materials design represents an obvious practical value for chemical engineers developing inexpensive CO<sub>2</sub> scavengersPolyurethane (PU) and its numerous fine-tuned derivatives are widely employed as CO<sub>2</sub> scavengers thanks to (1) physisorption and (2) functionalization of the PU backbone with other CO<sub>2</sub> sorbents. In the present work, it has been unraveled why PU cannot exhibit CO<sub>2</sub> chemisorption, despite possessing the nitrogen docking sites and exhibiting strong electrostatic sorbent-sorbate interactions. Furthermore, a few types of spatial separation of the active sorption sites have been proposed to unleash the chemisorption functionality of PU. By comparing various structural modifications of PU by using the in-silico methodology, we have identified that CO<sub>2</sub> chemisorption by PU takes place in the case of implementing methyl and ethyl fragments between the oxygen and nitrogen atoms of PU. Herewith, the introduction of the ethyl moiety even makes CO<sub>2</sub> chemisorption energetically favorable relative to physisorption. The reported specific progress on materials design represents an obvious practical value for chemical engineers developing inexpensive CO<sub>2</sub> scavengers.