cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2k5pm2
title: CCDC 2358964: Experimental Crystal Structure Determination

description: Related Article: Pushpendra Yadav, Deblina Chatterjee, Suman Bhowmick, Khushboo Tiwari, Annapurna Awasthi, Dharmendra Kumar Tiwari|2024|Chem.Commun.|60|12746|doi:10.1039/D4CC04044A
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.cc2kc2gh
title: CCDC 2364136: Experimental Crystal Structure Determination

description: Related Article: Tatyana S. Koptseva, Alexandra A. Skatova, Mikhail V. Moskalev, Roman V. Rumyantcev, Igor L. Fedushkin|2024|Dalton Trans.|53|17308|doi:10.1039/D4DT02597K
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.cc2kc2hj
title: CCDC 2364137: Experimental Crystal Structure Determination

description: Related Article: Tatyana S. Koptseva, Alexandra A. Skatova, Mikhail V. Moskalev, Roman V. Rumyantcev, Igor L. Fedushkin|2024|Dalton Trans.|53|17308|doi:10.1039/D4DT02597K
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.cc2kc2jk
title: CCDC 2364138: Experimental Crystal Structure Determination

description: Related Article: Tatyana S. Koptseva, Alexandra A. Skatova, Mikhail V. Moskalev, Roman V. Rumyantcev, Igor L. Fedushkin|2024|Dalton Trans.|53|17308|doi:10.1039/D4DT02597K
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.cc2kc2kl
title: CCDC 2364139: Experimental Crystal Structure Determination

description: Related Article: Tatyana S. Koptseva, Alexandra A. Skatova, Mikhail V. Moskalev, Roman V. Rumyantcev, Igor L. Fedushkin|2024|Dalton Trans.|53|17308|doi:10.1039/D4DT02597K
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.cc2kc2lm
title: CCDC 2364140: Experimental Crystal Structure Determination

description: Related Article: Tatyana S. Koptseva, Alexandra A. Skatova, Mikhail V. Moskalev, Roman V. Rumyantcev, Igor L. Fedushkin|2024|Dalton Trans.|53|17308|doi:10.1039/D4DT02597K
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.cc2kc2mn
title: CCDC 2364141: Experimental Crystal Structure Determination

description: Related Article: Tatyana S. Koptseva, Alexandra A. Skatova, Mikhail V. Moskalev, Roman V. Rumyantcev, Igor L. Fedushkin|2024|Dalton Trans.|53|17308|doi:10.1039/D4DT02597K
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.cc2kc2np
title: CCDC 2364142: Experimental Crystal Structure Determination

description: Related Article: Tatyana S. Koptseva, Alexandra A. Skatova, Mikhail V. Moskalev, Roman V. Rumyantcev, Igor L. Fedushkin|2024|Dalton Trans.|53|17308|doi:10.1039/D4DT02597K
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.cc2kc2pq
title: CCDC 2364143: Experimental Crystal Structure Determination

description: Related Article: Tatyana S. Koptseva, Alexandra A. Skatova, Mikhail V. Moskalev, Roman V. Rumyantcev, Igor L. Fedushkin|2024|Dalton Trans.|53|17308|doi:10.1039/D4DT02597K
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.cc2kc2qr
title: CCDC 2364144: Experimental Crystal Structure Determination

description: Related Article: Tatyana S. Koptseva, Alexandra A. Skatova, Mikhail V. Moskalev, Roman V. Rumyantcev, Igor L. Fedushkin|2024|Dalton Trans.|53|17308|doi:10.1039/D4DT02597K
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.cc2kgnxm
title: CCDC 2367591: Experimental Crystal Structure Determination

description: Related Article: Feng-Li Chen, Xin-Li Liu, Yue Zhao, Gang Li, Bo-Hong Gao, Xin-Yi Wang|2024|Dalton Trans.|53|17233|doi:10.1039/D4DT01954G
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.cc2kgnyn
title: CCDC 2367592: Experimental Crystal Structure Determination

description: Related Article: Feng-Li Chen, Xin-Li Liu, Yue Zhao, Gang Li, Bo-Hong Gao, Xin-Yi Wang|2024|Dalton Trans.|53|17233|doi:10.1039/D4DT01954G
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.cc2kgnzp
title: CCDC 2367593: Experimental Crystal Structure Determination

description: Related Article: Feng-Li Chen, Xin-Li Liu, Yue Zhao, Gang Li, Bo-Hong Gao, Xin-Yi Wang|2024|Dalton Trans.|53|17233|doi:10.1039/D4DT01954G
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.cc2kgp4w
title: CCDC 2367598: Experimental Crystal Structure Determination

description: Related Article: Feng-Li Chen, Xin-Li Liu, Yue Zhao, Gang Li, Bo-Hong Gao, Xin-Yi Wang|2024|Dalton Trans.|53|17233|doi:10.1039/D4DT01954G
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.eqyfk2
title: Occurrence Download

description: A dataset containing 650 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Ammannia prieuriana Guill. & Perr."
 ]
}

 The dataset includes 650 records from 35 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0027978-241107131044228/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.xy35sr
title: Occurrence Download

description: A dataset containing 116502 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((6.71043 45.50672,6.88504 45.50672,6.88504 45.64931,6.71043 45.64931,6.71043 45.50672))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Plantae"
 ]
}

 The dataset includes 116502 records from 65 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0027889-241107131044228/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.6nwer3
title: Occurrence Download

description: A dataset containing 777 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Chrysosplenium sinicum Maxim."
 ]
}

 The dataset includes 777 records from 49 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002719-250214102907787/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.14854246
title: Sequencing Data for the tutorial
DOI: 10.5281/zenodo.14854247
title: Sequencing Data for the tutorial
DOI: 10.15468/dl.k2axcu
title: Occurrence Download

description: A dataset containing 8 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Chrysosplenium suzukaense Wakab., Hir.Takah. & Tomita"
 ]
}

 The dataset includes 8 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002720-250214102907787/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.14877607
title: Sequencing Data for the tutorial

description: The current dataset includes sequencing data from Arabidopsis thaliana (specifically chromosome 4) to complete the tutorial on quality checks and genome assembly using Illumina, ONT, HiFi, and Hi-C data. This reduced dataset is intended to shorten the overall analysis time. The original dataset was published by Wang et al. in 2021 (see reference below).
DOI: 10.5281/zenodo.14877608
title: Sequencing Data for the tutorial

description: The current dataset includes sequencing data from Arabidopsis thaliana (specifically chromosome 4) to complete the tutorial on quality checks and genome assembly using Illumina, ONT, HiFi, and Hi-C data. This reduced dataset is intended to shorten the overall analysis time. The original dataset was published by Wang et al. in 2021 (see reference below).
DOI: 10.15468/dl.p754av
title: Occurrence Download

description: A dataset containing 9881 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Germany",
 "EventDate 2025-02-03-2025-02-18"
 ]
}

 The dataset includes 9881 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002718-250214102907787/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.6jf5kt
title: Occurrence Download

description: A dataset containing 4237 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Chrysosplenium tetrandrum (N.Lund) Th.Fr."
 ]
}

 The dataset includes 4237 records from 134 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002722-250214102907787/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.14857861
title: Supporting data for publication: Ellis, Reali et al, 2025, Nucl. Fusion, https://doi.org/10.1088/1741-4326/adb443
DOI: 10.5281/zenodo.14857862
title: Supporting data for publication: Ellis, Reali et al, 2025, Nucl. Fusion, https://doi.org/10.1088/1741-4326/adb443
DOI: 10.5281/zenodo.14881707
title: Simulated trajectories of a molecular switch based on norbornadiene

description: This dataset contains the results of nonadiabatic molecular dynamics (NAMD) simulations of the photorelaxation dynamics of a representative photoswitch based on norbornadiene. The nuclear wavepacket of the molecule is represented by an ensemble of 100 trajectories, which are numbered trajectory_0001.xyz to trajectory_0100.xyz. Each trajectory is formatted as a standard XYZ file, and it can be viewed with molecular editing software such as Jmol, GDIS, or VMD. The atomic coordinates are given in units of Ångström. Each trajectory was propagated for a period of 600 fs with a time step was 0.5 fs.

Each trajectory is accompanied by a CSV file (trajectory_0001_state_energies.csv, etc.) which contains information on the state energies during the given trajectory. The first line is a header: "t(fs) E0(Eh) E1(Eh) E2(Eh) Ecur(Eh) Etot(Eh)". The subsequent lines give the time t (in femtoseconds), the energies of states S0, S1, and S2 (in units of Hartree – Eh), the energy of the occupied state at time t, and the total energy at time t. (Total energy is not perfectly conserved.)

 

Acknowledgement

This research was supported by the  Alexander von Humboldt Foundation, and by the MINIATURA 6 grant funded by the National Science Center of Poland (Grant No. 2022/06/X/ST4/00523).
DOI: 10.5281/zenodo.14881708
title: Simulated trajectories of a molecular switch based on norbornadiene

description: This dataset contains the results of nonadiabatic molecular dynamics (NAMD) simulations of the photorelaxation dynamics of a representative photoswitch based on norbornadiene. The nuclear wavepacket of the molecule is represented by an ensemble of 100 trajectories, which are numbered trajectory_0001.xyz to trajectory_0100.xyz. Each trajectory is formatted as a standard XYZ file, and it can be viewed with molecular editing software such as Jmol, GDIS, or VMD. The atomic coordinates are given in units of Ångström. Each trajectory was propagated for a period of 600 fs with a time step was 0.5 fs.

Each trajectory is accompanied by a CSV file (trajectory_0001_state_energies.csv, etc.) which contains information on the state energies during the given trajectory. The first line is a header: "t(fs) E0(Eh) E1(Eh) E2(Eh) Ecur(Eh) Etot(Eh)". The subsequent lines give the time t (in femtoseconds), the energies of states S0, S1, and S2 (in units of Hartree – Eh), the energy of the occupied state at time t, and the total energy at time t. (Total energy is not perfectly conserved.)

 

Acknowledgement

This research was supported by the  Alexander von Humboldt Foundation, and by the MINIATURA 6 grant funded by the National Science Center of Poland (Grant No. 2022/06/X/ST4/00523).
DOI: 10.15468/dl.bg87uw
title: Occurrence Download

description: A dataset containing 64670 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Human Observation",
 "CoordinateUncertaintyInMeters 0.0-5000.0",
 "Geometry POLYGON((-12 20,60 20,60 75,-12 75,-12 20))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Quercus rubra L.",
 "Year 1980-2024"
 ]
}

 The dataset includes 64670 records from 365 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002723-250214102907787/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5519/qd.6s8l96tv
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (1245 records)
DOI: 10.15468/dl.3crj3a
title: Occurrence Download

description: A dataset containing 488 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Chrysosplenium tosaense (Makino) Makino ex Suto"
 ]
}

 The dataset includes 488 records from 35 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002724-250214102907787/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.hyx35j
title: Occurrence Download

description: A dataset containing 52144 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is West African Vegetation Database"
 ]
}

 The dataset includes 52144 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002726-250214102907787/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.y7gv4y
title: Occurrence Download

description: A dataset containing 95439 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Human Observation",
 "CoordinateUncertaintyInMeters 0.0-5000.0",
 "Geometry POLYGON((-12 20,60 20,60 75,-12 75,-12 20))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Taxus baccata L.",
 "Year 1980-2024"
 ]
}

 The dataset includes 95439 records from 460 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002725-250214102907787/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.xfwk3x
title: Occurrence Download

description: A dataset containing 9473420 species occurrences available in GBIF matching the query:
{
 "and" : [
 "OccurrenceStatus is Present",
 "TaxonKey is Squamata"
 ]
}

 The dataset includes 9473420 records from 7879 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002690-250214102907787/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.wlansm
title: Occurrence Download

description: A dataset containing 10 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Issue is Depth min max swapped",
 "TaxonKey is Saccopharynx Mitchill, 1824"
 ]
}

 The dataset includes 10 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0017121-180508205500799/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.74fz24
title: Occurrence Download

description: A dataset containing 383 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "or" : [
 "GadmGid is ARG",
 "GadmGid is URY",
 "GadmGid is PRY",
 "GadmGid is CHL",
 "GadmGid is FLK",
 "GadmGid is BRA.24_1"
 ]
 },
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Citharexylum B.Juss."
 ]
}

 The dataset includes 383 records from 43 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0083497-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.nu9sdq
title: Occurrence Download

description: A dataset containing 32263 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Setaria verticillata (L.) P.Beauv."
 ]
}

 The dataset includes 32263 records from 367 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0014971-181108115102211/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.m2g03n
title: Occurrence Download

description: A dataset containing 25 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "or" : [
 "StateProvince is oregon",
 "StateProvince is washington"
 ]
 },
 "TaxonKey is Helisoma newberryi (I.Lea, 1858)"
 ]
}

 The dataset includes 25 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0017121-190415153152247/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.3956cv
title: Occurrence Download

description: A dataset containing 4740 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((-63.28324629501863 -55.968350862914875,-56.34787722067399 -55.968350862914875,-56.34787722067399 -52.788307761604145,-63.28324629501863 -52.788307761604145,-63.28324629501863 -55.968350862914875))",
 "HasCoordinate is true",
 "TaxonKey is Animalia",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 4740 records from 76 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0027621-180131172636756/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.qwdfj3
title: Occurrence Download

description: A dataset containing 26 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Chile",
 "TaxonKey is Rhinoderma darwinii Duméril & Bibron, 1841",
 "Year 2000-2021"
 ]
}

 The dataset includes 26 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011350-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.otp6fx
title: Occurrence Download

description: A dataset containing 111965 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "or" : [
 "BasisOfRecord is Human Observation",
 "BasisOfRecord is Observation",
 "BasisOfRecord is Machine Observation"
 ]
 },
 "Country is Italy",
 "Year 2013-2018",
 "TaxonKey is Aves"
 ]
}

 The dataset includes 111965 records from 12 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0017122-180508205500799/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ftb9q4
title: Occurrence Download

description: A dataset containing 522 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Mexico",
 "TaxonKey is Tamandua mexicana (Saussure, 1860)"
 ]
}

 The dataset includes 522 records from 48 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0020538-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.