cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15468/dl.uevd8n
title: Occurrence Download

description: A dataset containing 349 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Primates)",
 "Geometry POLYGON((-70.500000 -4.460000, -69.770000 -4.460000, -69.770000 -3.640000, -70.500000 -3.640000, -70.500000 -4.460000))",
 "HasCoordinate is true",
 "Year is greater than or equal to 2015",
 "Year is less than or equal to 2025"
 ]
}

 The dataset includes 349 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0052072-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.zcjv88
title: Occurrence Download

description: A dataset containing 260 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Tobacco mosaic virus"
 ]
}

 The dataset includes 260 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0052073-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.8dkj4f
title: Occurrence Download

description: A dataset containing 25 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Primates)",
 "Geometry POLYGON((-70.330000 1.120000, -70.080000 1.120000, -70.080000 1.310000, -70.330000 1.310000, -70.330000 1.120000))",
 "HasCoordinate is true",
 "Year is greater than or equal to 2015",
 "Year is less than or equal to 2025"
 ]
}

 The dataset includes 25 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0052075-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.w3s7jd
title: Occurrence Download

description: A dataset containing 28825 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is Europe",
 "Country is one of (Denmark, Sweden, Norway)",
 "TaxonKey is Lasiommata megera"
 ]
}

 The dataset includes 28825 records from 46 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0052074-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.15760400
title: Data to support article: "Toluene hydrogenation on Pt nanoparticles: Site-ensemble requirements and inverse temperature effects on rates"

description: Code and data repository for submitted manuscript on the mechanism toluene hydrogenation on Pt surfaces titled: "Toluene hydrogenation on Pt nanoparticles: Site-ensemble requirements and inverse temperature effects on rates", published in the Journal of Catalysis (doi link: https://doi.org/10.1016/j.jcat.2025.116574).

The "DFT-outputs" directory has all outputs from geometry optimization and frequency calculations. Calculations for gas and surface species are reported in the "/gas" and "/surface" directories, respectively. Outputs are contained within sub-directories named according to Tables S5 and S6 in the manuscript. The outputs reported from geometry optimizations include the CONTCAR, OUTCAR, and OSZICAR VASP output files. The outputs reported from frequency calculations include those same VASP output files along with the structure in .xyz format (out.xyz) and a list of vibrational frequencies (Freqs.txt).

The "Thermochemistry-analysis" directory contains Jupyter notebooks used to process the DFT outputs and calculate thermochemical properties (enthalpy, entropy, and free energy). "Thermo_calc_Final.ipynb" and "Thermo_calc_gas_Final.ipynb" calculate properties for surface and gas species, respectively. They read "surf_thermo_2025.csv" and "gas_thermo_2025.csv", respectively, to find the path to the DFT outputs. They output a .csv file containing the calculated thermodynamic properties at a specified condition. 

The "Regression-analysis" directory contains the MATLAB codes used to regress MCHE hydrogenation rate data (psi) to the mechanistic model developed in the manuscript. "data_psi_HT_full-deact-corr.csv" contains the experimental data. "model_1.m" contains the kinetic model as a MATLAB function. "fit_model.m" runs least-squares regression, calling on model_1.m.

 

Funding and support:This material is based upon work supported by the National Science Foundation (NSF) Graduate Research Fellowship Program under Grant No. DGE 1106400. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author and do not necessarily reflect the views of the NSF. 

Financial support was provided from the Chevron Energy Technology Company and a Chevron/UC-Berkeley Graduate Research Fellowship. 

Computational resources were provided by the National Energy Research Scientific Computing Center (a DOE Office of Science user facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231), by the Extreme Science and Engineering Discovery Environment (XSEDE) supported by the NSF, and by the National Supercomputing Centre (NSCC) Singapore.

Notes:Repository title was updated 14 Dec. 2025 to match the final title of the corresponding research article accepted at the Journal of Catalysis.
DOI: 10.5281/zenodo.15760399
title: Data to support article: "Toluene hydrogenation on Pt nanoparticles: Site-ensemble requirements and inverse temperature effects on rates"

description: Code and data repository for submitted manuscript on the mechanism toluene hydrogenation on Pt surfaces titled: "Toluene hydrogenation on Pt nanoparticles: Site-ensemble requirements and inverse temperature effects on rates", published in the Journal of Catalysis (doi link: https://doi.org/10.1016/j.jcat.2025.116574).

The "DFT-outputs" directory has all outputs from geometry optimization and frequency calculations. Calculations for gas and surface species are reported in the "/gas" and "/surface" directories, respectively. Outputs are contained within sub-directories named according to Tables S5 and S6 in the manuscript. The outputs reported from geometry optimizations include the CONTCAR, OUTCAR, and OSZICAR VASP output files. The outputs reported from frequency calculations include those same VASP output files along with the structure in .xyz format (out.xyz) and a list of vibrational frequencies (Freqs.txt).

The "Thermochemistry-analysis" directory contains Jupyter notebooks used to process the DFT outputs and calculate thermochemical properties (enthalpy, entropy, and free energy). "Thermo_calc_Final.ipynb" and "Thermo_calc_gas_Final.ipynb" calculate properties for surface and gas species, respectively. They read "surf_thermo_2025.csv" and "gas_thermo_2025.csv", respectively, to find the path to the DFT outputs. They output a .csv file containing the calculated thermodynamic properties at a specified condition. 

The "Regression-analysis" directory contains the MATLAB codes used to regress MCHE hydrogenation rate data (psi) to the mechanistic model developed in the manuscript. "data_psi_HT_full-deact-corr.csv" contains the experimental data. "model_1.m" contains the kinetic model as a MATLAB function. "fit_model.m" runs least-squares regression, calling on model_1.m.

 

Funding and support:This material is based upon work supported by the National Science Foundation (NSF) Graduate Research Fellowship Program under Grant No. DGE 1106400. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author and do not necessarily reflect the views of the NSF. 

Financial support was provided from the Chevron Energy Technology Company and a Chevron/UC-Berkeley Graduate Research Fellowship. 

Computational resources were provided by the National Energy Research Scientific Computing Center (a DOE Office of Science user facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231), by the Extreme Science and Engineering Discovery Environment (XSEDE) supported by the NSF, and by the National Supercomputing Centre (NSCC) Singapore.

Notes:Repository title was updated 14 Dec. 2025 to match the final title of the corresponding research article accepted at the Journal of Catalysis.
DOI: 10.15468/dl.gtg7ez
title: Occurrence Download

description: A dataset containing 18 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is China",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Rhaponticum carthamoides"
 ]
}

 The dataset includes 18 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0052077-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.17927509
title: MODELE DU NOYAU CENTRAL ET DE LA SPHERE PERIPHERIQUE  UNE NOUVELLE APPROCHE INTEGRATIVE DE LA PERSONNALITE HUMAINE
title: PERSO

description: Description de la thèse

Cette thèse propose un nouveau modèle intégratif de la personnalité humaine, fondé sur une organisation sphérique et dynamique articulée autour d’un noyau central régulateur et de sphères périphériques adaptatives et pathologiques.Contrairement aux classifications psychiatriques classiques, souvent descriptives et catégorielles, ce modèle adopte une approche dimensionnelle, interactive et hiérarchisée, permettant une compréhension plus fine des variations normales et pathologiques de la personnalité.

Le noyau central représente le système d’équilibre de la personnalité, intégrant les dimensions génétiques, neurobiologiques, cognitives et psychosociales. Il assure la cohérence, la stabilité et la capacité d’adaptation de l’individu. Les sphères périphériques (émotionnelle, cognitive, comportementale, interpersonnelle et psychosomatique) interagissent entre elles et avec le noyau central selon des flux bidirectionnels, pouvant être adaptatifs ou pathologiques.

La thèse décrit en détail les anomalies possibles du noyau central, les dysfonctionnements des sphères périphériques, ainsi que les boucles de rétroaction multidirectionnelles responsables de la chronicisation ou de l’aggravation des troubles. Sur cette base, un système de score multidimensionnel est proposé, permettant la classification, la hiérarchisation et le suivi évolutif des troubles de la personnalité et de certaines pathologies psychiatriques, au-delà des cadres diagnostiques traditionnels.

Ce travail ouvre la voie à une reconceptualisation de la psychopathologie, avec des implications directes pour la recherche clinique, la personnalisation des stratégies thérapeutiques et l’usage futur d’outils numériques et d’intelligence artificielle pour l’évaluation et la modélisation de la personnalité humaine.
DOI: 10.5281/zenodo.17927510
title: MODELE DU NOYAU CENTRAL ET DE LA SPHERE PERIPHERIQUE  UNE NOUVELLE APPROCHE INTEGRATIVE DE LA PERSONNALITE HUMAINE
title: PERSO

description: Description de la thèse

Cette thèse propose un nouveau modèle intégratif de la personnalité humaine, fondé sur une organisation sphérique et dynamique articulée autour d’un noyau central régulateur et de sphères périphériques adaptatives et pathologiques.Contrairement aux classifications psychiatriques classiques, souvent descriptives et catégorielles, ce modèle adopte une approche dimensionnelle, interactive et hiérarchisée, permettant une compréhension plus fine des variations normales et pathologiques de la personnalité.

Le noyau central représente le système d’équilibre de la personnalité, intégrant les dimensions génétiques, neurobiologiques, cognitives et psychosociales. Il assure la cohérence, la stabilité et la capacité d’adaptation de l’individu. Les sphères périphériques (émotionnelle, cognitive, comportementale, interpersonnelle et psychosomatique) interagissent entre elles et avec le noyau central selon des flux bidirectionnels, pouvant être adaptatifs ou pathologiques.

La thèse décrit en détail les anomalies possibles du noyau central, les dysfonctionnements des sphères périphériques, ainsi que les boucles de rétroaction multidirectionnelles responsables de la chronicisation ou de l’aggravation des troubles. Sur cette base, un système de score multidimensionnel est proposé, permettant la classification, la hiérarchisation et le suivi évolutif des troubles de la personnalité et de certaines pathologies psychiatriques, au-delà des cadres diagnostiques traditionnels.

Ce travail ouvre la voie à une reconceptualisation de la psychopathologie, avec des implications directes pour la recherche clinique, la personnalisation des stratégies thérapeutiques et l’usage futur d’outils numériques et d’intelligence artificielle pour l’évaluation et la modélisation de la personnalité humaine.
DOI: 10.34740/kaggle/dsv/14151352
title: Peer-to-Peer Boliviano (BOB) Exchange Data
DOI: 10.5281/zenodo.17635365
title: Excitation Pulse Influence on the Accuracy and Robustness of Equivalent Circuit Model Parameter Identification for Li-ion Batteries

description: An experimental dataset obtained from testing the LG INR18650 MJ1 lithium-ion battery with a capacity of 3500 mAh was used. To parameterize the battery's equivalent circuits, data on the voltage response to rectangular test current pulses of various durations (from 9 to 144 seconds) and amplitudes (in the range of 0.5C, 1C, 2C, 3C), recorded within the middle state-of-charge zone (55–45% SoC), were used. A total of 12 pulse duration and current combinations were generated, from which model parameters were extracted using the procedure for minimizing the root-mean-square error of the voltage. Nine validation current profiles, including eight meandering currents and one based on a real-world driving scenario (Urban Dynamometer Driving Schedule, UDDS), were used to check the quality of the model parameterization.
DOI: 10.5281/zenodo.17635366
title: Excitation Pulse Influence on the Accuracy and Robustness of Equivalent Circuit Model Parameter Identification for Li-ion Batteries

description: An experimental dataset obtained from testing the LG INR18650 MJ1 lithium-ion battery with a capacity of 3500 mAh was used. To parameterize the battery's equivalent circuits, data on the voltage response to rectangular test current pulses of various durations (from 9 to 144 seconds) and amplitudes (in the range of 0.5C, 1C, 2C, 3C), recorded within the middle state-of-charge zone (55–45% SoC), were used. A total of 12 pulse duration and current combinations were generated, from which model parameters were extracted using the procedure for minimizing the root-mean-square error of the voltage. Nine validation current profiles, including eight meandering currents and one based on a real-world driving scenario (Urban Dynamometer Driving Schedule, UDDS), were used to check the quality of the model parameterization.
DOI: 10.15468/dl.2tphtg
title: Occurrence Download

description: A dataset containing 6 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "or" : [
 "Geometry POLYGON((8.80071 41.98297,8.80375 41.98297,8.80375 42.05827,8.80071 42.05827,8.80071 41.98297))",
 "Geometry POLYGON((8.66597 41.98159,8.81325 41.98159,8.81325 42.08214,8.66597 42.08214,8.66597 41.98159))"
 ]
 },
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Papilio hospiton"
 ]
}

 The dataset includes 6 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0052079-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.dv3r9p
title: Occurrence Download

description: A dataset containing 18252 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Duranta erecta"
 ]
}

 The dataset includes 18252 records from 464 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0052080-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ustncf
title: Occurrence Download

description: A dataset containing 3110 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Oxalis triangularis"
 ]
}

 The dataset includes 3110 records from 212 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0052081-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25934/pr00011841.0
title: Available datapackage for study 'A Randomised, Double-Blind, Placebo-Controlled, International, Multicentre, Phase III Study to Investigate the Efficacy and Safety of Ticagrelor and ASA Compared With ASA in the Prevention of Stroke and Death in Patients With Acute Ischaemic Stroke or Transient Ischaemic Attack'

description: Study to investigate if the study drug ticagrelor and ASA is more effective than Placebo (inactive tablet) and ASA in preventing new stroke events
DOI: 10.15468/dl.p3qx65
title: Occurrence Download

description: A dataset containing 22312 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Pilea microphylla"
 ]
}

 The dataset includes 22312 records from 464 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0052082-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.v822yb
title: Occurrence Download

description: A dataset containing 6954 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Portugal",
 "Geometry POLYGON((-9.85092 36.79972,-6.09658 36.79972,-6.09658 42.2643,-9.85092 42.2643,-9.85092 36.79972))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Acacia dealbata",
 "Year 2015-2025"
 ]
}

 The dataset includes 6954 records from 18 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0052083-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.sstcmw
title: Occurrence Download

description: A dataset containing 198 records in GBIF matching the query:
SELECT
 kingdom,
 kingdomkey,
 phylum,
 phylumkey,
 class,
 classkey,
 "order",
 orderkey,
 family,
 familykey,
 genus,
 genuskey,
 species,
 specieskey,
 "year",
 IF(ISNULL(kingdomkey), NULL, SUM(COUNT(*)) OVER (
 PARTITION BY kingdomkey, "year")) kingdomcount,
 IF(ISNULL(phylumkey), NULL, SUM(COUNT(*)) OVER (
 PARTITION BY phylumkey, "year")) phylumcount,
 IF(ISNULL(classkey), NULL, SUM(COUNT(*)) OVER (
 PARTITION BY classkey, "year")) classcount,
 IF(ISNULL(orderkey), NULL, SUM(COUNT(*)) OVER (
 PARTITION BY orderkey, "year")) ordercount,
 IF(ISNULL(familykey), NULL, SUM(COUNT(*)) OVER (
 PARTITION BY familykey, "year")) familycount,
 IF(ISNULL(genuskey), NULL, SUM(COUNT(*)) OVER (
 PARTITION BY genuskey, "year")) genuscount,
 COUNT(*) occurrences,
 MIN(GBIF_TEMPORALUNCERTAINTY(eventdate, eventtime)) mintemporaluncertainty,
 MIN(COALESCE(coordinateuncertaintyinmeters, 1000)) mincoordinateuncertaintyinmeters
FROM
 occurrence
WHERE
 (CAST(occurrence.taxonkey AS INTEGER) = 5290052 OR CAST(occurrence.acceptedtaxonkey AS INTEGER) = 5290052 OR CAST(occurrence.kingdomkey AS INTEGER) = 5290052 OR CAST(occurrence.phylumkey AS INTEGER) = 5290052 OR CAST(occurrence.classkey AS INTEGER) = 5290052 OR CAST(occurrence.orderkey AS INTEGER) = 5290052 OR CAST(occurrence.familykey AS INTEGER) = 5290052 OR CAST(occurrence.genuskey AS INTEGER) = 5290052 OR CAST(occurrence.specieskey AS INTEGER) = 5290052)
 AND occurrence.hasgeospatialissues = FALSE
 AND NOT GBIF_STRINGARRAYCONTAINS(occurrence.issue, 'TAXON_MATCH_FUZZY', TRUE)
 AND (occurrence.distancefromcentroidinmeters &gt;= 2000.0 OR occurrence.distancefromcentroidinmeters IS NULL)
 AND NOT occurrence.basisofrecord IN ('FOSSIL_SPECIMEN', 'LIVING_SPECIMEN')
 AND occurrence.occurrencestatus = 'PRESENT'
 AND (occurrence.specieskey IS NOT NULL AND occurrence."year" IS NOT NULL)
GROUP BY
 occurrence.kingdom,
 occurrence.kingdomkey,
 occurrence.phylum,
 occurrence.phylumkey,
 occurrence.class,
 occurrence.classkey,
 occurrence."order",
 occurrence.orderkey,
 occurrence.family,
 occurrence.familykey,
 occurrence.genus,
 occurrence.genuskey,
 occurrence.species,
 occurrence.specieskey,
 occurrence."year"

 The dataset's 198 records were derived from 820 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0052078-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.hqwvex
title: Occurrence Download

description: A dataset containing 2655 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "Country is one of (United States of America, Mexico, Canada)",
 "Year is greater than 1978",
 "Year is less than 2014",
 "HasGeospatialIssue is false",
 "TaxonKey is Prionotus evolans (Linnaeus, 1766)"
 ]
}

 The dataset includes 2655 records from 23 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0111516-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.zkj4wt
title: Occurrence Download

description: A dataset containing 135 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Argentina",
 "TaxonKey is Polypogon chilensis (Kunth) Pilg."
 ]
}

 The dataset includes 135 records from 22 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0042242-230530130749713/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.xq3ed8
title: Occurrence Download

description: A dataset containing 2195 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "Country is one of (United States of America, Mexico, Canada)",
 "Year is greater than 1978",
 "Year is less than 2014",
 "HasGeospatialIssue is false",
 "TaxonKey is Ondatra zibethicus (Linnaeus, 1766)"
 ]
}

 The dataset includes 2195 records from 61 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0111545-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.7mw5g7
title: Occurrence Download

description: A dataset containing 596 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Platymantis guentheri (Boulenger, 1882)"
 ]
}

 The dataset includes 596 records from 18 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0301301-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.kwbmcm
title: Occurrence Download

description: A dataset containing 66 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Caladenia bartlettii (Hatch) D.L.Jones, Molloy & M.A.Clem."
 ]
}

 The dataset includes 66 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0111539-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.