cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15468/dl.cxm3my
title: Occurrence Download

description: A dataset containing 14552 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 (Aquila chrysaetos)",
 "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 14552 records from 23 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005739-250711103210423/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.7ddtr5
title: Occurrence Download

description: A dataset containing 2 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is BOLD:ADC6099"
 ]
}

 The dataset includes 2 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005742-250711103210423/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ujmf5u
title: Occurrence Download

description: A dataset containing 7471 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Human Observation",
 "Geometry POLYGON((-7.40863 68.7766,-29.65312 48.60827,-32.42132 34.37179,-14.7246 23.29898,17.99951 25.07854,36.68488 23.10125,49.73498 39.9082,45.58268 54.14467,20.47112 66.89818,-7.40863 68.7766))",
 "OccurrenceStatus is Present",
 "TaxonKey is Pavo cristatus",
 "Year 2015-2025"
 ]
}

 The dataset includes 7471 records from 86 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005743-250711103210423/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.33sbcg
title: Occurrence Download

description: A dataset containing 35 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Discaria longispina"
 ]
}

 The dataset includes 35 records from 18 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005744-250711103210423/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ydg8zj
title: Occurrence Download

description: A dataset containing 153 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Biscutella scaposa"
 ]
}

 The dataset includes 153 records from 32 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005745-250711103210423/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.eppags
title: Occurrence Download

description: A dataset containing 728 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 (Aquila chrysaetos)",
 "Country is one of (Algeria, Angola, Benin, Botswana, British Indian Ocean Territory, Burkina Faso, Burundi, Cabo Verde, Cameroon, Central African Republic, Chad, Comoros, Congo, Congo, Democratic Republic of the, Côte d’Ivoire, Djibouti, Egypt, Equatorial Guinea, Eritrea, Eswatini, Ethiopia, French Southern Territories, Gabon, Gambia, Ghana, Guinea, Guinea-Bissau, Kenya, Lesotho, Liberia, Libya, Madagascar, Malawi, Mali, Mauritania, Mauritius, Mayotte, Morocco, Mozambique, Namibia, Niger, Nigeria, Réunion, Rwanda, Saint Helena, Ascension and Tristan da Cunha, Sao Tome and Principe, Senegal, Seychelles, Sierra Leone, Somalia, South Africa, South Sudan, Sudan, Tanzania, United Republic of, Togo, Tunisia, Uganda, Western Sahara, Zambia, Zimbabwe)"
 ]
}

 The dataset includes 728 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005747-250711103210423/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.tny7qf
title: Occurrence Download

description: A dataset containing 60 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Acorus calamus",
 "Country is Belarus",
 "HasCoordinate is true"
 ]
}

 The dataset includes 60 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005749-250711103210423/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ufdhbc
title: Occurrence Download

description: A dataset containing 20 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Creteuchiloglanis kamengensis"
 ]
}

 The dataset includes 20 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005750-250711103210423/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.4eneb7
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 (Aquila chrysaetos)",
 "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/0005751-250711103210423/datasets/export for details.
DOI: 10.15468/dl.qa7jx2
title: Occurrence Download

description: A dataset containing 262924 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Centaurea scabiosa"
 ]
}

 The dataset includes 262924 records from 1385 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005668-250711103210423/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ykqwsb
title: Occurrence Download

description: A dataset containing 7 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Thailand",
 "DatasetKey is iNaturalist Research-grade Observations",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Dipterocarpus intricatus Dyer",
 "Year 2000-2024"
 ]
}

 The dataset includes 7 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0066649-240506114902167/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.4jzheh
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Arctictis binturong (Raffles, 1821)",
 "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/0214963-220831081235567/datasets/export for details.
DOI: 10.15468/dl.7b4bpq
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, Lobotidae, Lobotidae, Lobotidae, 158145175, Lobotidae, Lobotidae, Lobotidae, Lobotidae, Lobotidae, 208012928, 208674276, Lobotidae, Lobotidae, Lobotidae, Lobotidae, Lobotidae, 205001581, Lobotidae, Lobotidae, Lobotidae, 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/0245208-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.v57agq
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Sarcoramphus papa (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/0214969-220831081235567/datasets/export for details.
DOI: 10.15468/dl.fzuv7d
title: Occurrence Download

description: A dataset containing 158 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Brazil",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Pseudobombax tomentosum (Mart. & Zucc.) A.Robyns"
 ]
}

 The dataset includes 158 records from 46 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0258756-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.rwaej9
title: Occurrence Download

description: A dataset listing the 73121 species recorded in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON ((26.7542939189847 1.2186193716968,36.9991642472184 13.6345880476356,41.544901412726 10.038706409249,37.5419388341447 2.16847489881781,35.84576825 -7.80500813595271,36.2528491901947 -16.0144737632128,34.2174444892211 -16.5572483501391,27.5006089760084 -8.95840413317107,26.7542939189847 1.2186193716968))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset's 73121 records were derived from 1064 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0245204-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.e43yra
title: Occurrence Download

description: A dataset containing 147 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Brazil",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Sterculia apetala (Jacq.) H.Karst."
 ]
}

 The dataset includes 147 records from 46 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0258773-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.nn63n5
title: Occurrence Download

description: A dataset containing 1 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Pseudemys nelsoni Carr, 1938",
 "HasCoordinate is true",
 "Country is Japan",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 1 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0214984-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.pcng9a
title: Occurrence Download

description: A dataset containing 27 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Greigia steyermarkii L.B.Sm."
 ]
}

 The dataset includes 27 records from 13 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0273275-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ccrm6f
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Eutheia rufa Jałoszyński, 2004",
 "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/0219887-220831081235567/datasets/export for details.
DOI: 10.6084/m9.figshare.24088895
title: Benchmarking Time-dependent Density Functional Theory for the prediction of electronic absorption spectra of amorphous ices for astrochemical applications

description: Time-dependent density functional theory (TDDFT) offers a tractable means to predict electronic excitation spectra of ices if sufficient care is taken in selecting the DFT functional, basis sets, and the number of excited states. In this work 48 functionals in conjunction with various correlation consistent basis sets were benchmarked for predicting electronic spectra. A training set of important astromolecules was chosen: carbon monoxide, water, hydrogen cyanide, ammonia, methanol, and the hydroxyl radical. Vertical excitation energies between the ground and first excited state and some higher excited states were calculated using multireference configuration interaction calculations to serve as benchmarks for gas phase TDDFT calculations. When used in conjunction with aug-cc-pVDZ quality correlation consistent basis sets, two functionals, MPW1K and ωB97, emerged as very good choices to model electronic excitations for most of the molecules in the training set. Cluster calculation predictions for the UV spectra of amorphous ices of water and ammonia were performed at the TDDFT-MPW1K/AVDZ and TDDFT-ωB97/AVDZ levels and then compared against experimental data. The calculations qualitatively reproduce the shapes of the spectra for the most part and quantitatively predict the position of the critical first absorption peak.
DOI: 10.6084/m9.figshare.24088895.v1
title: Benchmarking Time-dependent Density Functional Theory for the prediction of electronic absorption spectra of amorphous ices for astrochemical applications

description: Time-dependent density functional theory (TDDFT) offers a tractable means to predict electronic excitation spectra of ices if sufficient care is taken in selecting the DFT functional, basis sets, and the number of excited states. In this work 48 functionals in conjunction with various correlation consistent basis sets were benchmarked for predicting electronic spectra. A training set of important astromolecules was chosen: carbon monoxide, water, hydrogen cyanide, ammonia, methanol, and the hydroxyl radical. Vertical excitation energies between the ground and first excited state and some higher excited states were calculated using multireference configuration interaction calculations to serve as benchmarks for gas phase TDDFT calculations. When used in conjunction with aug-cc-pVDZ quality correlation consistent basis sets, two functionals, MPW1K and ωB97, emerged as very good choices to model electronic excitations for most of the molecules in the training set. Cluster calculation predictions for the UV spectra of amorphous ices of water and ammonia were performed at the TDDFT-MPW1K/AVDZ and TDDFT-ωB97/AVDZ levels and then compared against experimental data. The calculations qualitatively reproduce the shapes of the spectra for the most part and quantitatively predict the position of the critical first absorption peak.
DOI: 10.15468/dl.tvyfvx
title: Occurrence Download

description: A dataset containing 48353 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is Monitoreos en áreas de compensación por pérdida de biodiversidad relacionadas al Gasoducto Mamonal-Paiva"
 ]
}

 The dataset includes 48353 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0001489-230530130749713/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.24162909
title: The ammonia absorption spectrum revisited between 5650 and 6350 cm<sup>−1</sup>

description: The ammonia spectrum is revisited in the important 1.6 µm atmospheric transparency window between 5650 and 6350 cm−1 on the basis of recently recorded high-resolution Fourier transform spectra. These spectra offer an improved frequency sampling and better traceability of the measurement conditions compared to previously studied Kitt Peak spectra (Cacciani <i>et al.</i> J. Quant Spectrosc Radiat Transf 2021; 258:107334. https://doi.org/10.1016/j.jqsrt.2020.107334). Overall, 4812 14NH3 lines were measured in the 5650–6350 cm−1 region corresponding to 4866 transitions including 2066 new ones compared with our previous study, included in the HITRAN2020 database. The energy of 1023 upper state levels (including 107 new ones) was derived from 2608 assigned transitions. Independently, ammonia spectra recorded in a supersonic jet expansion using a tunable extended cavity diode laser allow us to check the absolute transition energies in the 5980–6080 cm−1 range. Accurate jet spectra calibration was achieved using CH4 reference line positions known with kHz accuracy. The position agreement with the FTS data is within the 4×10−4 cm−1 uncertainty of the positions measured in the jet expansion. A recommended line list of 5620 transitions is provided for 14NH3 in the considered 5650–6350 cm−1 region.
DOI: 10.6084/m9.figshare.24162909.v1
title: The ammonia absorption spectrum revisited between 5650 and 6350 cm<sup>−1</sup>

description: The ammonia spectrum is revisited in the important 1.6 µm atmospheric transparency window between 5650 and 6350 cm−1 on the basis of recently recorded high-resolution Fourier transform spectra. These spectra offer an improved frequency sampling and better traceability of the measurement conditions compared to previously studied Kitt Peak spectra (Cacciani <i>et al.</i> J. Quant Spectrosc Radiat Transf 2021; 258:107334. https://doi.org/10.1016/j.jqsrt.2020.107334). Overall, 4812 14NH3 lines were measured in the 5650–6350 cm−1 region corresponding to 4866 transitions including 2066 new ones compared with our previous study, included in the HITRAN2020 database. The energy of 1023 upper state levels (including 107 new ones) was derived from 2608 assigned transitions. Independently, ammonia spectra recorded in a supersonic jet expansion using a tunable extended cavity diode laser allow us to check the absolute transition energies in the 5980–6080 cm−1 range. Accurate jet spectra calibration was achieved using CH4 reference line positions known with kHz accuracy. The position agreement with the FTS data is within the 4×10−4 cm−1 uncertainty of the positions measured in the jet expansion. A recommended line list of 5620 transitions is provided for 14NH3 in the considered 5650–6350 cm−1 region.
DOI: 10.6084/m9.figshare.24211639
title: Diffusion Monte Carlo and PIMD calculations of radial distribution functions using an updated CCSD(T) potential for CH<sub>5</sub><sup>+</sup>

description: We report a new permutationally invariant polynomial (PIP) fit to CCSD(T)/aug-cc-pVTZ energies for CH5+ that provides fast analytical forces, unlike the original PIP fit of 2006. The new fit, which is slightly more precise than the previous one, is used in classical molecular dynamics, diffusion Monte Carlo and path integral molecular dynamics calculations of CH and HH radial distribution functions (RDFs) at temperatures of 10 and 50K. Corresponding RDFs are also reported for CD3H2+. The well-known quantum localisation of the H atoms to the diatomic site from previous and present DMC calculations is maintained at 10K but shows additional delocalisation to the ‘CH3+’ site at 50K.
DOI: 10.6084/m9.figshare.24211639.v1
title: Diffusion Monte Carlo and PIMD calculations of radial distribution functions using an updated CCSD(T) potential for CH<sub>5</sub><sup>+</sup>

description: We report a new permutationally invariant polynomial (PIP) fit to CCSD(T)/aug-cc-pVTZ energies for CH5+ that provides fast analytical forces, unlike the original PIP fit of 2006. The new fit, which is slightly more precise than the previous one, is used in classical molecular dynamics, diffusion Monte Carlo and path integral molecular dynamics calculations of CH and HH radial distribution functions (RDFs) at temperatures of 10 and 50K. Corresponding RDFs are also reported for CD3H2+. The well-known quantum localisation of the H atoms to the diatomic site from previous and present DMC calculations is maintained at 10K but shows additional delocalisation to the ‘CH3+’ site at 50K.
DOI: 10.15468/dl.yt3pmp
title: Occurrence Download

description: A dataset containing 6458 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is one of (Observation, Machine Observation, Human Observation, Specimen, Living Specimen, Occurrence evidence)",
 "Country is Colombia",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Tremarctos ornatus (F.G.Cuvier, 1825)",
 "Year 1990-2022"
 ]
}

 The dataset includes 6458 records from 35 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0214970-220831081235567/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.24073424
title: Post-CCSD(T) corrections to bond distances and vibrational frequencies: the power of Λ

description: The importance of post-CCSD(T) corrections as high as CCSDTQ56 for ground-state spectroscopic constants (De, ωe, ωexe, and αe) has been surveyed for a sample of two dozen mostly heavy-atom diatomics spanning a broad range of static correlation strength. While CCSD(T) is known to be an unusually felicitous ‘Pauling point’ between accuracy and computational cost, performance leaves something to be desired for molecules with strong static correlation. We find CCSDT(Q)Λ to be the next ‘sweet spot’ up, of comparable or superior quality to the much more expensive CCSDTQ. A similar comparison applies to CCSDTQ(5)Λ vs. CCSDTQ5, while CCSDTQ5(6)Λ is essentially indistinguishable from CCSDTQ56. A composite of CCSD(T)-X2C/ACV5Z-X2C with [CCSDT(Q)Λ – CCSD(T)]/cc-pVTZ or even cc-pVDZ basis sets appears highly effective for computational vibrational spectroscopy. Unlike CCSDT(Q) which breaks down for the ozone vibrational frequencies, CCSDT(Q)Λ handles them gracefully.