cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15468/dl.m5xf4q
title: Occurrence Download

description: A dataset containing 13956 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Neptunea",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 13956 records from 255 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000028-260221153910048/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25549/uschist-c104-239603
title: Trojan family, vol. 17, no. 6 (1985 Mar.)

description: Trojan family, vol. 17, no. 6 (1985 March). Published monthly, September through May, except January.
DOI: 10.15468/dl.6eskzf
title: Occurrence Download

description: A dataset containing 1387477 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "TaxonKey is Vanessa cardui"
 ]
}

 The dataset includes 1387477 records from 3693 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0032466-260208012135463/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.utx8g2
title: Occurrence Download

description: A dataset containing 24 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "InstitutionCode is one of (fishbase, aum, cumv)",
 "TaxonKey is Sarotherodon mvogoi (Thys van den Audenaerde, 1965)"
 ]
}

 The dataset includes 24 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012946-230810091245214/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.11033731
title: Data for "Competitive aminal formation during the synthesis of a highly soluble, isopropyl-decorated imine porous organic cage"

description: In the following subdirectories are the input and output of DFT and conformer calculations for this publication:

 

DOI: 10.1039/D3CC00072A

 

Previously uploaded in 10.5281/zenodo.8432296 and https://github.com/andrewtarzia/citable_data

 

sub-directories:





intermediate_calculations/



Input intermediate structures, incl. amine, aldehyde and water precursors, as `.mol` files.

Output structures from GFN2-xTB optimisation as `_opt.mol` and `_opt.xyz` files.

GFN2-xTB energies for different solvents as `_SOLV.ey` files.

`.csv` files containing:



all_total_energies.csv : Total energy of all intermediates from all methods. [column `xtbgas` is the one used in the manuscript]

all_formation_energies.csv : Formation energy of all intermediates from all methods. [column `xtbgas` is the one used in the manuscript]

all_formation_energies_per_imine.csv : Formation energy per imine bond formed of all intermediates from all methods. [column `xtbgas` is the one used in the manuscript]





intermediate_calculations/gaussian_calculations/ [note that these are not used in the manuscript]



Gaussian16 input and output for DFT calculations on the intermediates.

Structures are the GFN2-xTB optimised structures.

File names match the directory above as such `NAME_opt_SOLV_METHOD.gau/log`



SOLV include `gas`, `dcm` (dichloromethane) and `cfm` (chloroform).

METHOD inclde `pbe` (PBE1PBE/Def2TZVP) and `mp2` (MP2/aug-cc-pVDZ).





intermediate_calculations/orca_calculations/ [note that these are not used in the manuscript]



Orca input and output for DFT calculations on the intermediates.

Structures for B97-3c optimisation are the GFN2-xTB optimised structures.



Result for each intermediate are saved as `_o_NAME_opt_B97-3c.xyz`.



Structures for the MP2 single-point are the B97-3c output. [note that these are not used in the manuscript]

File names match the directory above as such `o_NAME_opt_METHOD.in/out`



All calculations performed in gas phase.

METHOD inclde `B97-3c` (composite method) and `MP2` (RI-MP2 cc-pVTZ). [note that these are not used in the manuscript]





conformer_calculations/



Eight zipped directories for four diamines and four imines used in conformer analysis including all optimised conformer structures and their energies.

Four zipped directories (`opls_structures`) containing Macromodel/OPLS3e conformers.
DOI: 10.5281/zenodo.11033732
title: Data for "Competitive aminal formation during the synthesis of a highly soluble, isopropyl-decorated imine porous organic cage"

description: In the following subdirectories are the input and output of DFT and conformer calculations for this publication:

 

DOI: 10.1039/D3CC00072A

 

Previously uploaded in 10.5281/zenodo.8432296 and https://github.com/andrewtarzia/citable_data

 

sub-directories:





intermediate_calculations/



Input intermediate structures, incl. amine, aldehyde and water precursors, as `.mol` files.

Output structures from GFN2-xTB optimisation as `_opt.mol` and `_opt.xyz` files.

GFN2-xTB energies for different solvents as `_SOLV.ey` files.

`.csv` files containing:



all_total_energies.csv : Total energy of all intermediates from all methods. [column `xtbgas` is the one used in the manuscript]

all_formation_energies.csv : Formation energy of all intermediates from all methods. [column `xtbgas` is the one used in the manuscript]

all_formation_energies_per_imine.csv : Formation energy per imine bond formed of all intermediates from all methods. [column `xtbgas` is the one used in the manuscript]





intermediate_calculations/gaussian_calculations/ [note that these are not used in the manuscript]



Gaussian16 input and output for DFT calculations on the intermediates.

Structures are the GFN2-xTB optimised structures.

File names match the directory above as such `NAME_opt_SOLV_METHOD.gau/log`



SOLV include `gas`, `dcm` (dichloromethane) and `cfm` (chloroform).

METHOD inclde `pbe` (PBE1PBE/Def2TZVP) and `mp2` (MP2/aug-cc-pVDZ).





intermediate_calculations/orca_calculations/ [note that these are not used in the manuscript]



Orca input and output for DFT calculations on the intermediates.

Structures for B97-3c optimisation are the GFN2-xTB optimised structures.



Result for each intermediate are saved as `_o_NAME_opt_B97-3c.xyz`.



Structures for the MP2 single-point are the B97-3c output. [note that these are not used in the manuscript]

File names match the directory above as such `o_NAME_opt_METHOD.in/out`



All calculations performed in gas phase.

METHOD inclde `B97-3c` (composite method) and `MP2` (RI-MP2 cc-pVTZ). [note that these are not used in the manuscript]





conformer_calculations/



Eight zipped directories for four diamines and four imines used in conformer analysis including all optimised conformer structures and their energies.

Four zipped directories (`opls_structures`) containing Macromodel/OPLS3e conformers.
DOI: 10.15468/dl.qgtpx0
title: Occurrence Download

description: A dataset containing 1821490765 species occurrences available in GBIF matching the query:
{ }

 The dataset includes 1821490765 records from 19612 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0027830-180508205500799/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15156/bio/sh1389572.10fu
title: SH1389572.10FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.15468/dl.ny9x8y
title: Occurrence Download

description: A dataset containing 799542 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((92.2579 28.12155,102.77615 28.12155,102.77615 33.57258,92.2579 33.57258,92.2579 28.12155))",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 799542 records from 834 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005919-260108223611665/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15156/bio/sh1389573.10fu
title: SH1389573.10FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.3535/5x4-ea9-gv6
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/p73-rz3-0sk
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/591-lqn-wh7
title: Bison C. H. Smith, 1827

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/jk4-0g5-wax
title: Equus (Equus) caballus Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/glv-9ab-st2
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/ykp-f7m-3yf
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/461-q5l-xw3
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/2t3-bl8-4c6
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/bbb-gfr-q9w
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/ezw-c1p-0pv
title: Balclutha Kirkaldy, 1900

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/l27-lc9-6ej
title: Gen. indet. sp. indet.

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.15468/dl.gmrmn7
title: Occurrence Download

description: A dataset containing 3 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Eremichthys acros)",
 "BasisOfRecord is one of (Specimen, Literature Occurrence, Human Observation, Observation)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 1991",
 "Year is less than or equal to 2025"
 ]
}

 The dataset includes 3 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0018743-250811113504898/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.3535/2r3-x3n-fyt
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/ajz-3x3-1th
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/3ll-sb0-5nf
title: Trisopterus

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/atm-r0e-q8q
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/c5n-ya5-jnz
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/ggf-4bf-k8j
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/wq6-eyp-pdp
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/6lz-xhf-eel
title: Balclutha Kirkaldy, 1900

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/exb-zpt-a8y
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/0ns-f91-9b9
title: Isis Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/clz-mm2-6h2
title: †Eulepidina H. Douvillé, 1911

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/k37-brf-3dj
title: Cnidaria

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/6wq-btv-z44
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/dtn-lne-stx
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/d50-w7q-x5f
title: Animalia

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/td8-1bc-a4f
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/hcr-w64-z1a
title: Animalia

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/5gv-4m8-8hn
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/sb8-ysv-ng6
title: Cetorhinus maximus (Gunnerus, 1765)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/27b-670-5er
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/as4-8sn-61n
title: Animalia

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/cks-vzr-c6q
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/q74-dv7-h70
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/g3l-tqd-y41
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/rhz-zp6-rll
title: Prionocidaris baculosa (Lamarck, 1816)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/9j4-xly-eyq
title: Carcharias

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/qrv-97l-3lq
title: †Polychaetaspis Kozlowski, 1956

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/htg-dd5-x4l
title: Dasyatis

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/sye-3yj-cg3
title: Animalia

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/spw-jr1-he5
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/73x-07v-aep
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/qn2-ceg-m0r
title: Elephantidae Gray, 1821

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/wky-ymj-jm6
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/nnj-l8g-kzq
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/sva-yma-tpk
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/c21-wvx-2ce
title: Aves

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/y7a-azy-72q
title: Odontaspis

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/0l2-85w-y3x
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/b7m-j39-sht
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/kt8-8xp-l8d
title: †Nummulites Lamarck, 1801

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/s4e-8as-41a
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/5cp-1ay-pye
title: Plantae

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/fwa-vyb-cx9
title: Balclutha Kirkaldy, 1900

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/xtq-ewm-b63
title: Plantae

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.15468/dl.7hdcms
title: Occurrence Download

description: A dataset containing 4 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Caloplaca exsecuta)",
 "Country is one of (Norway)",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 "CoordinateUncertaintyInMeters is less than or equal to 1000",
 "Year is greater than or equal to 1986",
 "Year is less than or equal to 2025",
 {
 "not" : {
 "BasisOfRecord" : [
 "is Fossil"
 ]
 }
 },
 {
 "not" : {
 "BasisOfRecord" : [
 "is Machine Observation"
 ]
 }
 }
 ]
}

 The dataset includes 4 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0024661-260208012135463/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.uwztrm
title: Occurrence Download

description: A dataset containing 27 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((10.46974 47.53187,2.72491 45.2623,-0.76026 41.75311,-5.21353 39.40053,-6.76249 31.36289,21.89335 27.99935,33.12334 30.3657,38.15747 31.85756,37.96385 38.04103,32.54248 39.69912,25.76576 43.18128,16.47197 48.9502,10.46974 47.53187))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Goniobranchus obsoletus"
 ]
}

 The dataset includes 27 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0024663-260208012135463/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.4kawza
title: Occurrence Download

description: A dataset containing 20306 species occurrences available in GBIF matching the query:
{
 "and" : [
 "DatasetKey is one of (Monitoreo de las condiciones ambientales y los cambios estructurales y funcionales de las comunidades vegetales y de los recursos pesqueros durante la rehabilitación de la Ciénaga Grande de Santa Marta, Datos de monitoreo de la estructura de los manglares de la Ciénaga Grande de Santa Marta (Magdalena), The Sustainable Wetlands Adaptation and Mitigation Program (SWAMP) Vegetation Dataset, Evaluación y monitoreo de manglar en la Reserva de la Biósfera Los Petenes con énfasis en criterios de sustentabilidad y desarrollo, Monitoreos de los ecosistemas marinos de la bahía Portete, Puerto Bolívar, La Guajira, Diversidad vegetal y fúngica del sistema lagunar de La Carbonera, Reserva Estatal de Ciénagas y Manglares de la costa norte de Yucatán, Tropicos MO Specimen Data, Prog. Monitoreo Siembras y Restauraciones RNCC - Powered by Anecdata.org, Digitalización y Sistematización de las Colecciones Biológicas Nacionales del Instituto de Biología, UNAM (Plantas vasculares))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Avicennia germinans"
 ]
}

 The dataset includes 20306 records from 9 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0024664-260208012135463/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.cwnu96
title: Occurrence Download

description: A dataset containing 650166 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is Maritimes Spring Research Vessel Surveys"
 ]
}

 The dataset includes 650166 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0017873-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.n9faxf
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Amomum warburgianum K.Schum. & Lauterb."
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0020169-230224095556074/datasets/export for details.
DOI: 10.15468/dl.r83733
title: Occurrence Download

description: A dataset containing 353 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Alchemilla borealis Sam. ex Juz."
 ]
}

 The dataset includes 353 records from 33 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0008154-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.