cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/cc1k1wwc
title: CCDC 1431793: Experimental Crystal Structure Determination

description: Related Article: Arnold L. Rheingold and Richard A. Kemp|2015|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc1k76kk
title: CCDC 1436898: Experimental Crystal Structure Determination

description: Related Article: Ulrich Flörke, Mehmet Özer, Gerald Henkel|2016|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc13ts8z
title: CCDC 1037671: Experimental Crystal Structure Determination

description: Related Article: Masilamani Tamizmani and Chinnappan Sivasankar|2015|CSD Communication|||
description: Related Article: Masilamani Tamizmani, Chinnappan Sivasankar|2017|J.Organomet.Chem.|845|82|doi:10.1016/j.jorganchem.2017.02.039
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc12qzxp
title: CCDC 1005203: Experimental Crystal Structure Determination

description: Related Article: Masilamani Tamizmani and Chinnappan Sivasankar|2015|CSD Communication|||
description: Related Article: Masilamani Tamizmani, Chinnappan Sivasankar|2017|J.Organomet.Chem.|845|82|doi:10.1016/j.jorganchem.2017.02.039
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc1kc705
title: CCDC 1440756: Experimental Crystal Structure Determination

description: Related Article: Masilamani Tamizmani and chinnappan Sivasankar|2015|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc13mpzd
title: CCDC 1031834: Experimental Crystal Structure Determination

description: Related Article: Masilamani Tamizmani and Chinnappan Sivasankar|2015|CSD Communication|||
description: Related Article: Masilamani Tamizmani, Chinnappan Sivasankar|2017|J.Organomet.Chem.|845|82|doi:10.1016/j.jorganchem.2017.02.039
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc13ts90
title: CCDC 1037672: Experimental Crystal Structure Determination

description: Related Article: Masilamani Tamizmani|2015|CSD Communication|||
description: Related Article: Masilamani Tamizmani, Chinnappan Sivasankar|2017|J.Organomet.Chem.|845|82|doi:10.1016/j.jorganchem.2017.02.039
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.15468/dl.7y622k
title: Occurrence Download

description: A dataset containing 51206 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is one of (Europe, Asia)",
 "CoordinateUncertaintyInMeters 0.0-200.0",
 "DatasetKey is iNaturalist Research-grade Observations",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Harmonia axyridis (Pallas, 1773)"
 ]
}

 The dataset includes 51206 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0036671-240906103802322/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/ccdc.csd.cc1kk29h
title: CCDC 1446376: Experimental Crystal Structure Determination

description: Related Article: E. Sathiyaraj, S Thirumaran, Samuele Ciattini, S. Selvanayagam|2019|Inorg.Chim.Acta|498|119162|doi:10.1016/j.ica.2019.119162
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1kv01g
title: CCDC 1454955: Experimental Crystal Structure Determination

description: Related Article: Mariusz P. Mitoraj, Maria G. Babashkina, Koen Robeyns, Filip Sagan, Dariusz W. Szczepanik, Yulia V. Seredina, Yann Garcia, Damir A. Safin|2019|Organometallics|38|1973|doi:10.1021/acs.organomet.9b00062
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1kx7d3
title: CCDC 1457105: Experimental Crystal Structure Determination

description: Related Article: Siyabonga Mncube, Muhammad Bala|2017|Mol.Catal.|482|100107|doi:10.1016/j.mcat.2017.03.005
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1lgjyj
title: CCDC 1473738: Experimental Crystal Structure Determination

description: Related Article: Bhumika Agrahari, Samaresh Layek, Rakesh Ganguly, Necmi Dege, Devendra D. Pathak|2019|J.Organomet.Chem.|890|13|doi:10.1016/j.jorganchem.2019.03.018
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1lhczf
title: CCDC 1474545: Experimental Crystal Structure Determination

description: Related Article: Sadegh Salehzadeh, Reza Golbedaghi, Harry Adams|2021|J.Mol.Struct.|1247|131359|doi:10.1016/j.molstruc.2021.131359
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1lhd0h
title: CCDC 1474546: Experimental Crystal Structure Determination

description: Related Article: Sadegh Salehzadeh, Reza Golbedaghi, Harry Adams|2021|J.Mol.Struct.|1247|131359|doi:10.1016/j.molstruc.2021.131359
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1lllrj
title: CCDC 1477638: Experimental Crystal Structure Determination

description: Related Article: Diane A. Dickie, Brittany E. Chacon, Alibek Issabekov, Kevin Lam, Richard A. Kemp|2016|Inorg.Chim.Acta|453|42|doi:10.1016/j.ica.2016.07.048
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1m8pxh
title: CCDC 1497917: Experimental Crystal Structure Determination

description: Related Article: Tian Qiu, Glenn P. A. Yap, Joel Rosenthal|2019|ACS Appl. Energy Mater.|2|8560|doi:10.1021/acsaem.9b01482
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1mjtwv
title: CCDC 1505728: Experimental Crystal Structure Determination

description: Related Article: Huaifeng Li, Kuo-Wei Huang|2016|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1mt4h2
title: CCDC 1513714: Experimental Crystal Structure Determination

description: Related Article: Ashwin G. Nair, Roy T. McBurney, Mark R.D. Gatus, D.Barney Walker, Mohan Bhadbhade, Barbara A. Messerle|2017|J.Organomet.Chem.|845|63|doi:10.1016/j.jorganchem.2017.02.025
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1mt4j3
title: CCDC 1513715: Experimental Crystal Structure Determination

description: Related Article: Ashwin G. Nair, Roy T. McBurney, Mark R.D. Gatus, D.Barney Walker, Mohan Bhadbhade, Barbara A. Messerle|2017|J.Organomet.Chem.|845|63|doi:10.1016/j.jorganchem.2017.02.025
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1n26zx
title: CCDC 1521479: Experimental Crystal Structure Determination

description: Related Article: Ulrich Flörke, Muhammad Ayaz, Gerald Henkel|2016|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25345/c5ht2gq0d
title: MassIVE MSV000095999 - GC-MS extract Streptomyces sp. RC4
title: Title: Effects of Different Media and Solvents on Biological Activities and Secondary Metabolites Profiles of Coral-Derived Streptomyces sp. RC4 Authors: RIZKY, RISA NOFIANI, RUDIYANSYAH, CANTIKA DYLANI PUTRI, DES SAPUTRO WIBOWO, FITRI SETYONINGRUM
DOI: 10.5517/ccdc.csd.cc1n270z
title: CCDC 1521480: Experimental Crystal Structure Determination

description: Related Article: Ulrich Flörke, Muhammad Ayaz, Gerald Henkel|2016|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1n2710
title: CCDC 1521481: Experimental Crystal Structure Determination

description: Related Article: Ulrich Flörke, Muhammad Ayaz, Gerald Henkel|2016|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5281/zenodo.13865479
title: Data for: Molecular Aharonov-Bohm Interferometers Based on Porphyrin Nanorings

description: The directories in this dataset contain:

./cpnxyz files: Optimized geometries of the c-PN porphyrin nanorings using the GFN1-xTB method in the absence of a magnetic field. txt files: Orbital energies of the c-PN porphyrin nanorings relative to its HOMO-LUMO gap center in the absence of a magnetic field calculated using the GFN1-xTB-M1 method where first number in each line is the magnetic field strength (Tesla) and the remaining numbers are the orbital energies (eV).

./cpn_flatxyz files: Optimized geometries of the flattened c-PN porphyrin nanorings using the GFN1-xTB method in the absence of a magnetic field. txt files: Orbital energies of the flattened c-PN porphyrin nanorings relative to its HOMO-LUMO gap center in the absence of a magnetic field calculated using the GFN1-xTB-M1 method where the first number in each line is the magnetic field strength (Tesla) and the remaining numbers are the orbital energies (eV).

./currenttxt files: The calculated current as a function of the external magnetic field for the specified Fermi transport windows and electronic temperatures where the first number in each line is the magnetic field strength (Tesla) and the second number is the current (micro Amps).

./finite_junctionxyz files: Optimized geometries of the finite junction model using the GFN1-xTB method in the absence of a magnetic field. txt files: Orbital energies of the finite junction model relative to the HOMO-LUMO gap center of the c-P10 nanoring in the absence of a magnetic field calculated using the GFN1-xTB-M1 method where the first number in each line is the magnetic field strength (Tesla) and the remaining numbers are the orbital energies (eV).

./fpnxyz files: Optimized geometries of the f-PN porphyrin nanobelts using the GFN1-xTB method in the absence of a magnetic field. txt files: Orbital energies of the f-PN porphyrin nanobelts relative to its HOMO-LUMO gap center in the absence of a magnetic field calculated using the GFN1-xTB-M1 method where the first number in each line is the magnetic field strength (Tesla) and the remaining numbers are the orbital energies (eV).

./transmissiontxt files: The transmission function calculation results using the NEGF+GFN1-xTB-M1 method for a number of field strengths and biased electron densities where the 1st, 2nd and 3rd numbers in each line are the energy (Hartree) relative to the HOMO-LUMO gap center of the c-P10 nanoring in the absence of a magnetic field, transmission probability, and density of states.

./transmission_homo-1txt files: The transmission function calculation results using the NEGF+GFN1-xTB-M1 method for energies around the HOMO-1 and HOMO-2 peaks for a number of field strengths where the 1st, 2nd and 3rd numbers in each line are the energy (Hartree) relative to the HOMO-LUMO gap center of the c-P10 nanoring in the absence of a magnetic field, transmission probability, and density of states.
DOI: 10.5281/zenodo.13865480
title: Data for: Molecular Aharonov-Bohm Interferometers Based on Porphyrin Nanorings

description: The directories in this dataset contain:

./cpnxyz files: Optimized geometries of the c-PN porphyrin nanorings using the GFN1-xTB method in the absence of a magnetic field. txt files: Orbital energies of the c-PN porphyrin nanorings relative to its HOMO-LUMO gap center in the absence of a magnetic field calculated using the GFN1-xTB-M1 method where first number in each line is the magnetic field strength (Tesla) and the remaining numbers are the orbital energies (eV).

./cpn_flatxyz files: Optimized geometries of the flattened c-PN porphyrin nanorings using the GFN1-xTB method in the absence of a magnetic field. txt files: Orbital energies of the flattened c-PN porphyrin nanorings relative to its HOMO-LUMO gap center in the absence of a magnetic field calculated using the GFN1-xTB-M1 method where the first number in each line is the magnetic field strength (Tesla) and the remaining numbers are the orbital energies (eV).

./currenttxt files: The calculated current as a function of the external magnetic field for the specified Fermi transport windows and electronic temperatures where the first number in each line is the magnetic field strength (Tesla) and the second number is the current (micro Amps).

./finite_junctionxyz files: Optimized geometries of the finite junction model using the GFN1-xTB method in the absence of a magnetic field. txt files: Orbital energies of the finite junction model relative to the HOMO-LUMO gap center of the c-P10 nanoring in the absence of a magnetic field calculated using the GFN1-xTB-M1 method where the first number in each line is the magnetic field strength (Tesla) and the remaining numbers are the orbital energies (eV).

./fpnxyz files: Optimized geometries of the f-PN porphyrin nanobelts using the GFN1-xTB method in the absence of a magnetic field. txt files: Orbital energies of the f-PN porphyrin nanobelts relative to its HOMO-LUMO gap center in the absence of a magnetic field calculated using the GFN1-xTB-M1 method where the first number in each line is the magnetic field strength (Tesla) and the remaining numbers are the orbital energies (eV).

./transmissiontxt files: The transmission function calculation results using the NEGF+GFN1-xTB-M1 method for a number of field strengths and biased electron densities where the 1st, 2nd and 3rd numbers in each line are the energy (Hartree) relative to the HOMO-LUMO gap center of the c-P10 nanoring in the absence of a magnetic field, transmission probability, and density of states.

./transmission_homo-1txt files: The transmission function calculation results using the NEGF+GFN1-xTB-M1 method for energies around the HOMO-1 and HOMO-2 peaks for a number of field strengths where the 1st, 2nd and 3rd numbers in each line are the energy (Hartree) relative to the HOMO-LUMO gap center of the c-P10 nanoring in the absence of a magnetic field, transmission probability, and density of states.
DOI: 10.15468/dl.72zhfy
title: Occurrence Download

description: A dataset containing 133634 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is Mammal records from Britain from the Atlas of Mammals (1993), with some subsequent records"
 ]
}

 The dataset includes 133634 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0036663-240906103802322/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25500/edata.bham.00001182
title: Research data supporting "Cocoa flavanols rescue stress-induced declines in endothelial function after a high-fat meal, but do not affect cerebral oxygenation during stress in young, healthy adults"
DOI: 10.5281/zenodo.13866909
title: Measurement database and line parameter database for air- and self-broadened H2O in the 5970-6575 cm-1 region

description: Air-broadened H2O measurements at 294 K, total pressure range 250-1000 mbar, and self-broadened measurements at 294 K, 10 and 20 mbar, and analysis were carried out within the ESA-funded project ISOGG (Improved Spectroscopy for satellite measurements Of Greenhouse Gases).

The measurement database is in “H2O_self-_and_air-broadened_measurements_5970-6575cm-1.zip” and the line parameter database in “H2O_self-_and_air-broadening_line_parameters_5970-6575cm-1.zip”. The readme file is “Measurement database and line parameter database for air- and self-broadened H2O in the 5970-6575 cm-1 region - Readme.docx”.

Definitions and units of line parameters are in accordance with the HITRAN database and can be found in the readme file in ESA SEOM-IAS – Spectroscopic parameters database 2.3 µm region (zenodo.org).

The systematic line position uncertainty is 1.7x10-5 cm-1.
DOI: 10.5281/zenodo.13866910
title: Measurement database and line parameter database for air- and self-broadened H2O in the 5970-6575 cm-1 region

description: Air-broadened H2O measurements at 294 K, total pressure range 250-1000 mbar, and self-broadened measurements at 294 K, 10 and 20 mbar, and analysis were carried out within the ESA-funded project ISOGG (Improved Spectroscopy for satellite measurements Of Greenhouse Gases).

The measurement database is in “H2O_self-_and_air-broadened_measurements_5970-6575cm-1.zip” and the line parameter database in “H2O_self-_and_air-broadening_line_parameters_5970-6575cm-1.zip”. The readme file is “Measurement database and line parameter database for air- and self-broadened H2O in the 5970-6575 cm-1 region - Readme.docx”.

Definitions and units of line parameters are in accordance with the HITRAN database and can be found in the readme file in ESA SEOM-IAS – Spectroscopic parameters database 2.3 µm region (zenodo.org).

The systematic line position uncertainty is 1.7x10-5 cm-1.
DOI: 10.15468/dl.7h9m4q
title: Occurrence Download

description: A dataset listing the 10633 species recorded in GBIF matching the query:
{
 "DatasetKey" : [
 "is EOD – eBird Observation Dataset"
 ]
}

 The dataset's 10633 records were derived from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0036659-240906103802322/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.yahhfc
title: Occurrence Download

description: A dataset containing 283 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Symplocos coriacea A.DC."
 ]
}

 The dataset includes 283 records from 17 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0036672-240906103802322/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.