cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.23815306
title: One-centre corrected two-electron integrals in inner projection-based integral evaluations

description: Cholesky decomposition (CD) of the two-electron integrals and the resolution-of-identity (RI) techniques are established inner projection methods to efficiently evaluate two-electron integrals. Both approaches share the notion of an auxiliary basis set as a mean to reduce the scaling. In the past years, the close relationship between the two approaches has fostered developments on how to systematically derive unbiased auxiliary basis sets – atomic CD (aCD) and atomic compact CD (acCD) auxiliary basis sets, different to the precomputed auxiliary basis sets. The accuracy of these approximations in the RI approach can be further improved via an explicit correction of the one-centred two-electron integrals, which is the main object of this research. Correcting the one-centred two-electron integrals directly, which scales linear with system size, is expected to provide a new degree of freedom to the design of auxiliary basis sets. This can either be used to gain faster convergence towards the conventional treatment of the two-electron integrals or as a mean to design lighter auxiliary basis sets while maintaining the same accuracy as of the uncorrected approach. The benchmarks of the one-centre corrections applied to several auxiliary basis set types were investigated in this paper.
DOI: 10.6084/m9.figshare.23815306.v2
title: One-centre corrected two-electron integrals in inner projection-based integral evaluations

description: Cholesky decomposition (CD) of the two-electron integrals and the resolution-of-identity (RI) techniques are established inner projection methods to efficiently evaluate two-electron integrals. Both approaches share the notion of an auxiliary basis set as a mean to reduce the scaling. In the past years, the close relationship between the two approaches has fostered developments on how to systematically derive unbiased auxiliary basis sets – atomic CD (aCD) and atomic compact CD (acCD) auxiliary basis sets, different to the precomputed auxiliary basis sets. The accuracy of these approximations in the RI approach can be further improved via an explicit correction of the one-centred two-electron integrals, which is the main object of this research. Correcting the one-centred two-electron integrals directly, which scales linear with system size, is expected to provide a new degree of freedom to the design of auxiliary basis sets. This can either be used to gain faster convergence towards the conventional treatment of the two-electron integrals or as a mean to design lighter auxiliary basis sets while maintaining the same accuracy as of the uncorrected approach. The benchmarks of the one-centre corrections applied to several auxiliary basis set types were investigated in this paper.
DOI: 10.6084/m9.figshare.26002599
title: A hyperfine-resolved spectroscopic model for vanadium monoxide (<sup>51</sup>V<sup>16</sup>O)

description: Vanadium monoxide (51V16O) is believed to play an important role in the atmospheres of hot-Jupiters, but high-resolution studies have so far failed to detect it, at least in part because of the inaccuracy of available lists. It is likely that the large hyperfine splittings in the spectra of VO, arising from the large nuclear spin I=72 of the 51V atom, has contributed to the non-detections with the current hyperfine-unresolved VOMYT line list. To aid in the production of a new line list, a fully hyperfine-resolved spectroscopic model has been constructed which includes 15 low-lying electronic states (6 quartets and 9 doublets) of VO with the inclusion of hyperfine couplings based on use of the new, hyperfine-resolved version of the diatomic variational nuclear motion programme Duo. The new spectroscopic model is refined against empirical Marvel energies derived from experimental transitions, and hyperfine couplings are fit for the 3 electronic states for which hyperfine effects have been resolved in lab spectra. This model is used to assign some previously identified perturbations.
DOI: 10.6084/m9.figshare.26002599.v1
title: A hyperfine-resolved spectroscopic model for vanadium monoxide (<sup>51</sup>V<sup>16</sup>O)

description: Vanadium monoxide (51V16O) is believed to play an important role in the atmospheres of hot-Jupiters, but high-resolution studies have so far failed to detect it, at least in part because of the inaccuracy of available lists. It is likely that the large hyperfine splittings in the spectra of VO, arising from the large nuclear spin I=72 of the 51V atom, has contributed to the non-detections with the current hyperfine-unresolved VOMYT line list. To aid in the production of a new line list, a fully hyperfine-resolved spectroscopic model has been constructed which includes 15 low-lying electronic states (6 quartets and 9 doublets) of VO with the inclusion of hyperfine couplings based on use of the new, hyperfine-resolved version of the diatomic variational nuclear motion programme Duo. The new spectroscopic model is refined against empirical Marvel energies derived from experimental transitions, and hyperfine couplings are fit for the 3 electronic states for which hyperfine effects have been resolved in lab spectra. This model is used to assign some previously identified perturbations.
DOI: 10.6084/m9.figshare.23815306.v1
title: One-centre corrected two-electron integrals in inner projection-based integral evaluations*

description: Cholesky decomposition (CD) of the two-electron integrals and the resolution-of-identity (RI) techniques are established inner projection methods to efficiently evaluate two-electron integrals. Both approaches share the notion of an auxiliary basis set as a mean to reduce the scaling. In the past years, the close relationship between the two approaches has fostered developments on how to systematically derive unbiased auxiliary basis sets – atomic CD (aCD) and atomic compact CD (acCD) auxiliary basis sets, different to the precomputed auxiliary basis sets. The accuracy of these approximations in the RI approach can be further improved via an explicit correction of the one-centred two-electron integrals, which is the main object of this research. Correcting the one-centred two-electron integrals directly, which scales linear with system size, is expected to provide a new degree of freedom to the design of auxiliary basis sets. This can either be used to gain faster convergence towards the conventional treatment of the two-electron integrals or as a mean to design lighter auxiliary basis sets while maintaining the same accuracy as of the uncorrected approach. The benchmarks of the one-centre corrections applied to several auxiliary basis set types were investigated in this paper.
DOI: 10.15468/dl.6cvayr
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Scopus umbretta Gmelin, 1789",
 "HasCoordinate is true",
 "Country is Japan",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0214975-220831081235567/datasets/export for details.
DOI: 10.15468/dl.npch2j
title: Occurrence Download

description: A dataset listing the 20 species recorded in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Viviparidae",
 "GadmGid is USA.47_1",
 "HasGeospatialIssue is false"
 ]
}

 The dataset's 20 records were derived from 11 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0258770-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.3sf5a7
title: Occurrence Download

description: A dataset containing 1421 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Lycaon pictus (Temminck, 1820)"
 ]
}

 The dataset includes 1421 records from 71 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0248172-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.h599y9
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Vulpes corsac (Linnaeus, 1768)",
 "HasCoordinate is true",
 "Country is Japan",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0214980-220831081235567/datasets/export for details.
DOI: 10.15468/dl.dhkyd6
title: Occurrence Download

description: A dataset containing 437097 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is North America",
 "CoordinateUncertaintyInMeters 0.0-100.0",
 "Country is United States of America",
 "TaxonKey is Squamata"
 ]
}

 The dataset includes 437097 records from 52 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0001514-230530130749713/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.peke8m
title: Occurrence Download

description: A dataset containing 264 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is one of (Observation, Human Observation)",
 "Geometry POLYGON((-75.57831 6.20341,-75.57948 6.20246,-75.58028 6.19859,-75.58107 6.196,-75.57958 6.19491,-75.57841 6.19669,-75.57797 6.19742,-75.57719 6.20109,-75.57714 6.20288,-75.57831 6.20341))",
 "HasGeospatialIssue is false",
 "TaxonKey is Aves"
 ]
}

 The dataset includes 264 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0214985-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ckf99s
title: Occurrence Download

description: A dataset containing 7 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Caloptilia schisandrae Kumata, 1966",
 "HasCoordinate is true",
 "Country is Japan",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 7 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0218459-220831081235567/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.22331470
title: Reconstituting the single-cell transcriptome atlas of human euploid and aneuploid blastocysts

description: We reconstituted the single-cell transcriptome atlas of human aneuploid blastocysts involving each autosomal and sex chromosome, providing crucial insights into the molecular basis of human aneuploid blastocysts.
DOI: 10.15468/dl.gz7zjm
title: Occurrence Download

description: A dataset containing 4 species occurrences available in GBIF matching the query:
{
 "and" : [
 "DatasetKey is Coleção Ictiológica (MNRJ), Museu Nacional (MN), Universidade Federal do Rio de Janeiro(UFRJ)",
 "TaxonKey is Copionodon orthiocarinatus de Pinna, 1992"
 ]
}

 The dataset includes 4 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0247706-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.sej4fz
title: Occurrence Download

description: A dataset containing 76 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is India",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Canis lupus pallipes Sykes, 1831"
 ]
}

 The dataset includes 76 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0066650-240506114902167/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.zu8uca
title: Occurrence Download

description: A dataset containing 8 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((0.27577 40.48294,1.04373 40.48294,1.04373 40.85006,0.27577 40.85006,0.27577 40.48294))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Procambarus clarkii (Girard, 1852)",
 "Year 1882-2015"
 ]
}

 The dataset includes 8 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0248175-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.gr3x42
title: Occurrence Download

description: A dataset containing 251093 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is United States of America",
 "Geometry POLYGON((-70.17811 41.76283,-70.1554 41.68252,-69.97375 41.73298,-70.00457 41.80475,-70.17811 41.76283))",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present"
 ]
}

 The dataset includes 251093 records from 115 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0258774-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.9zrgu4
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Lepus townsendii Bachman, 1839",
 "HasCoordinate is true",
 "Country is Japan",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0215001-220831081235567/datasets/export for details.
DOI: 10.15468/dl.8t4q2y
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Dicaeum trigonostigma (Scopoli, 1786)",
 "HasCoordinate is true",
 "Country is Japan",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0214989-220831081235567/datasets/export for details.
DOI: 10.15468/dl.2sbm3w
title: Occurrence Download

description: A dataset containing 92 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Lobotidae, 197283917, Lobotidae, 208659872, Lobotidae, Lobotidae, Lobotidae, Lobotidae, Lobotidae, Lobotidae, Lobotidae, Lobotidae, 158145175, Lobotidae, Lobotidae, Lobotidae, Lobotidae, Lobotidae, Lobotidae, Lobotidae, Lobotidae, Lobotidae, 205001581, Lobotidae, Lobotidae, Lobotidae, Lobotidae, Lobotidae, Lobotidae, Lobotidae, 208012928, 208674276, 208539336, 208641555, Lobotidae, 204357674, Lobotidae, Lobotidae, Lobotidae, Lobotidae, Lobotidae, Lobotidae, Lobotidae, Lobotidae, Lobotidae, 199475801, Lobotidae, 205879494, 161442775, Lobotidae Gill 1861, Lobotidae Gill, 1861, Lobotidae Gill, 1861, Lobotidae Gill 1861, Lutjanidae, Lutjanidae)",
 "BasisOfRecord is one of (Specimen, Human Observation, Observation, Living Specimen, Machine Observation, Literature Occurrence)",
 "Geometry POLYGON((105.5 17,110.5 17,110.5 22,105.5 22,105.5 17))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 92 records from 9 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0245207-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.qa9vp6
title: Occurrence Download

description: A dataset containing 369873 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Human Observation",
 "GadmGid is one of (USA, MEX)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "PublishingOrg is 28eb1a3f-1c15-4a95-931a-4af90ecb574d",
 "TaxonKey is Araneae"
 ]
}

 The dataset includes 369873 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0258777-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.bwk8tp
title: Occurrence Download

description: A dataset containing 132 species occurrences available in GBIF matching the query:
{
 "and" : [
 "GadmGid is ITA",
 "TaxonKey is Agrostis canina L."
 ]
}

 The dataset includes 132 records from 7 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0243758-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.23zf63
title: Occurrence Download

description: A dataset listing the 8 species recorded in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Haloragaceae",
 "GadmGid is USA.47_1",
 "HasGeospatialIssue is false"
 ]
}

 The dataset's 8 records were derived from 13 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0258808-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.52mduf
title: Occurrence Download

description: A dataset containing 49359722 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Netherlands",
 "DatasetKey is Observation.org, Nature data from around the World",
 "PublishingOrg is c8d737e0-2ff8-42e8-b8fc-6b805d26fc5f",
 "TaxonKey is Animalia",
 "Year 2002-2023"
 ]
}

 The dataset includes 49359722 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0248177-220831081235567/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.22331470.v1
title: Reconstituting the single-cell transcriptome atlas of human euploid and aneuploid blastocysts

description: We reconstituted the single-cell transcriptome atlas of human aneuploid blastocysts involving each autosomal and sex chromosome, providing crucial insights into the molecular basis of human aneuploid blastocysts.
DOI: 10.15468/dl.dgkecp
title: Occurrence Download

description: A dataset containing 11493 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((-105.03094 45.42837,-95.50897 45.42837,-95.50897 48.92247,-105.03094 48.92247,-105.03094 45.42837))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is one of (Buteo regalis (G.R.Gray, 1844), Falco columbarius Linnaeus, 1758, Falco mexicanus Schlegel, 1850)"
 ]
}

 The dataset includes 11493 records from 29 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0228470-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.r2yqct
title: Occurrence Download

description: A dataset containing 6 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Guyana",
 "TaxonKey is Lecythis brancoensis (R.Knuth) S.A.Mori"
 ]
}

 The dataset includes 6 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0036163-230530130749713/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.9dcmab
title: Occurrence Download

description: A dataset containing 5471 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is Collection entomologique de l'Université Laval (ULQC)"
 ]
}

 The dataset includes 5471 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0258816-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.8h3agx
title: Occurrence Download

description: A dataset containing 28 species occurrences available in GBIF matching the query:
{
 "and" : [
 "DatasetKey is Coleção Entomológica do Museu Nacional / UFRJ",
 "TaxonKey is Sarconesia magellanica (Le Guillou, 1842)"
 ]
}

 The dataset includes 28 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0245211-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.y8gsj4
title: Occurrence Download

description: A dataset containing 2 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Eolophus roseicapilla (Vieillot, 1817)",
 "HasCoordinate is true",
 "Country is Japan",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 2 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0214991-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.bmcpma
title: Occurrence Download

description: A dataset listing the 5 species recorded in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Cyrenidae",
 "GadmGid is USA.47_1",
 "HasGeospatialIssue is false"
 ]
}

 The dataset's 5 records were derived from 10 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0258781-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.qt4f2v
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Rhinoceros unicornis Linnaeus, 1758",
 "HasCoordinate is true",
 "Country is Japan",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0215008-220831081235567/datasets/export for details.
DOI: 10.15468/dl.2u95yy
title: Occurrence Download

description: A dataset containing 10 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Acolutha pictaria (Moore, 1888)",
 "HasCoordinate is true",
 "Country is Japan",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 10 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0218463-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.z6pqdv
title: Occurrence Download

description: A dataset containing 5 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Glaucostegus cemiculus (Geoffroy Saint-Hilaire, 1817)",
 "Year 1000-1899"
 ]
}

 The dataset includes 5 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0258818-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.zqa4kr
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Coragyps atratus (Bechstein, 1793)",
 "HasCoordinate is true",
 "Country is Japan",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0214992-220831081235567/datasets/export for details.