cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2nqzhw
title: CCDC 2464949: Experimental Crystal Structure Determination

description: Related Article: Alejandra Acuña, Akshitha Selvaraj, Marie Cordier, Thierry Roisnel, Daniel Müller, Gilles Alcaraz, Marc Devillard|2025|Inorg.Chem.|||doi:10.1021/acs.inorgchem.5c02978
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: 10.25549/cassady-c85-563
title: Arithmetic I, 1870s

description: A pamphlet consisting of 33 examination problems, divided into 5 sections: A. Integral numbers, B. Vulgar fractions, C. Decimal fractions, D. Concrete numbers and E. Rule of three. From the collection of Sir Harold Hartley, member of the executive committee of the 1932 Centenary exhibition. One of only two copies. Item is no. 64 in Christies' South Kensington, Catalogue of auction, no. BKS-5056: The Nicholas Falletta Collection of Lewis Carroll books and manuscripts, 30 November 2005. Not in Williams, Madan, Green and Crutch.
DOI: 10.5517/ccdc.csd.cc2nqzjx
title: CCDC 2464950: Experimental Crystal Structure Determination

description: Related Article: Alejandra Acuña, Akshitha Selvaraj, Marie Cordier, Thierry Roisnel, Daniel Müller, Gilles Alcaraz, Marc Devillard|2025|Inorg.Chem.|||doi:10.1021/acs.inorgchem.5c02978
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.cc2nqzky
title: CCDC 2464951: Experimental Crystal Structure Determination

description: Related Article: Alejandra Acuña, Akshitha Selvaraj, Marie Cordier, Thierry Roisnel, Daniel Müller, Gilles Alcaraz, Marc Devillard|2025|Inorg.Chem.|||doi:10.1021/acs.inorgchem.5c02978
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: 10.25549/centuryfwy-ouc113788171
title: Barber, "Brown casts doubt on Century Freeway", 1980-10-19

description: Mary Barber, "Brown casts doubt on Century Freeway: governor visits Compton, expresses pessimism for community's economy", Los Angeles Times, South Bay, Part IX, 1980 October 19.
DOI: 10.5517/ccdc.csd.cc2nqzlz
title: CCDC 2464952: Experimental Crystal Structure Determination

description: Related Article: Alejandra Acuña, Akshitha Selvaraj, Marie Cordier, Thierry Roisnel, Daniel Müller, Gilles Alcaraz, Marc Devillard|2025|Inorg.Chem.|||doi:10.1021/acs.inorgchem.5c02978
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.cc2nqzm0
title: CCDC 2464953: Experimental Crystal Structure Determination

description: Related Article: Alejandra Acuña, Akshitha Selvaraj, Marie Cordier, Thierry Roisnel, Daniel Müller, Gilles Alcaraz, Marc Devillard|2025|Inorg.Chem.|||doi:10.1021/acs.inorgchem.5c02978
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.cc2nqzn1
title: CCDC 2464954: Experimental Crystal Structure Determination

description: Related Article: Alejandra Acuña, Akshitha Selvaraj, Marie Cordier, Thierry Roisnel, Daniel Müller, Gilles Alcaraz, Marc Devillard|2025|Inorg.Chem.|||doi:10.1021/acs.inorgchem.5c02978
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.cc2nqzp2
title: CCDC 2464955: Experimental Crystal Structure Determination

description: Related Article: Alejandra Acuña, Akshitha Selvaraj, Marie Cordier, Thierry Roisnel, Daniel Müller, Gilles Alcaraz, Marc Devillard|2025|Inorg.Chem.|||doi:10.1021/acs.inorgchem.5c02978
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.cc2nqzq3
title: CCDC 2464956: Experimental Crystal Structure Determination

description: Related Article: Alejandra Acuña, Akshitha Selvaraj, Marie Cordier, Thierry Roisnel, Daniel Müller, Gilles Alcaraz, Marc Devillard|2025|Inorg.Chem.|||doi:10.1021/acs.inorgchem.5c02978
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: 10.25549/centuryfwy-ouc113787744
title: USC-RTD set training program, 1980-05-30

description: USC-RTD set training program, 1980 May 30.
DOI: 10.25549/centuryfwy-ouc113788177
title: Rosenhause, "Subway impact on neighborhoods draws little thought--as yet", 1980-02-17

description: Sharon Rosenhause, "Subway impact on neighborhoods draws little thought--as yet", Los Angeles Times, Metro/Local news, Part II, 1980 February 17.
DOI: 10.5517/ccdc.csd.cc2p3q7s
title: CCDC 2476225: Experimental Crystal Structure Determination

description: Related Article: Fengjie Yao, Yufei Wu, Yidian Sheng, Kuan Yu, Peirong Rao, Jun Xuan, Hanfeng Ding|2025|J.Am.Chem.Soc.|||doi:10.1021/jacs.5c13564
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.cc2p4z61
title: CCDC 2477433: Experimental Crystal Structure Determination

description: Related Article: Christian Urbank, Christopher Golz, Lisa Vondung|2026|Inorg.Chim.Acta|589||doi:10.1016/j.ica.2025.122946
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.cc2p4z72
title: CCDC 2477434: Experimental Crystal Structure Determination

description: Related Article: Christian Urbank, Christopher Golz, Lisa Vondung|2026|Inorg.Chim.Acta|589||doi:10.1016/j.ica.2025.122946
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: 10.25549/centuryfwy-ouc113787838
title: Barnhart, "Statement on the Century Freeway", 1981-07-02

description: R. A. (Ray Anderson) Barnhart, Federal Highway Administrator, "Statement on the Century Freeway", 1981 July 02.
DOI: 10.5517/ccdc.csd.cc2jrq34
title: CCDC 2346486: Experimental Crystal Structure Determination

description: Related Article: Thu Thuy Pham, Chien Thang Pham, Hong Nhung Nguyen, Quang Khanh Nguyen, Anh Son Nguyen, David Cornil, Jérôme Cornil, Thuy Duong Nguyen, Alice Belfiore, Thi Xuan Hang To, Marie-Georges Olivier|2026|J.Mol.Struct.|1351|144342|doi:10.1016/j.molstruc.2025.144342
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.cc2p5412
title: CCDC 2477583: Experimental Crystal Structure Determination

description: Related Article: Ingrid Popovici, Yujia Chen, Sophie Bourcier, Nicolas Casaretto, Audrey Auffrant|2025|Dalton Trans.|54|15705|doi:10.1039/d5dt02099a
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.cc2p5423
title: CCDC 2477584: Experimental Crystal Structure Determination

description: Related Article: Ingrid Popovici, Yujia Chen, Sophie Bourcier, Nicolas Casaretto, Audrey Auffrant|2025|Dalton Trans.|54|15705|doi:10.1039/d5dt02099a
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.3wr7y8
title: Occurrence Download

description: A dataset containing 979 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Specimen",
 "Country is United States of America",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Bombus variabilis"
 ]
}

 The dataset includes 979 records from 26 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0018452-251025141854904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25549/centuryfwy-ouc113788123
title: Stammer, "Swath of desolation marks boundaries of fading dream", 1981-04-19

description: Larry Stammer, "Century Freeway periled by soaring costs, changing political climate - Swath of desolation marks boundaries of fading dream", Los Angeles Times, Metro/Local news, CC, Part II, 1981 April 19. Continuation: "COST: freeway future in doubt".
DOI: 10.25549/centuryfwy-ouc113787852
title: Stammer, "Swath of desolation marks boundaries of fading dream", 1981-04-19

description: Larry Stammer, "Century Freeway periled by soaring costs, changing political climate - Swath of desolation marks boundaries of fading dream", Los Angeles Times, Metro/Local news, CC, Part II, 1981 April 19. Continuation: "COST: freeway future in doubt".
DOI: 10.5517/ccdc.csd.cc2k4n1f
title: CCDC 2357954: Experimental Crystal Structure Determination

description: Related Article: Wenzhi Li, Xin Mao, Hong Yin, Yuxi Wang, Yifan Wang, Junsheng Chen, Keli Han, Ruiling Zhang|2025|Adv.Funct.Mater.|35|2413049|doi:10.1002/adfm.202413049
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: 10.25549/centuryfwy-ouc113788175
title: Stammer, "Swath of desolation marks boundaries of fading dream", 1981-04-19

description: Larry Stammer, "Century Freeway periled by soaring costs, changing political climate - Swath of desolation marks boundaries of fading dream", Los Angeles Times, Metro/Local news, CC, Part II, 1981 April 19. Continuation: "COST: freeway future in doubt".
DOI: 10.25549/centuryfwy-ouc113788504
title: Public hearing, City of Downey 105 Freeway agreement, 1971-09-23

description: Reporter's transcript, public hearing, City of Downey 105 Freeway agreement, gymnasium, Downey High School, Downey, California, USA, 1971 September 23. Mayor Joseph G. Ferris presiding, hearing reporter Virginia Black.
DOI: 10.25549/centuryfwy-ouc113788522
title: Public hearing, City of Downey 105 Freeway agreement, 1971-09-23

description: Reporter's transcript, public hearing, City of Downey 105 Freeway agreement, gymnasium, Downey High School, Downey, California, USA, 1971 September 23. Mayor Joseph G. Ferris presiding, hearing reporter Virginia Black.
DOI: 10.25549/centuryfwy-ouc113788490
title: Remarks on I-105 freeway, 1977-07-18

description: Remarks for Mayor Ted Jackman - I-105 freeway, Mayor Jenning's remarks to Governor Brown re:proposed 105 freeway, remarks by Charles W. Thompson, 1977 July 18.
DOI: 10.25549/centuryfwy-ouc113788570
title: Downey City Council, Century Freeway, 1967-03-13/1973-07-09

description: Downey City Council, documents regarding Century Freeway, 1967 March 24/1973 July 09. Includes statement by city councilman Donald H. Winton (1970 July 09), letter by Ned Young, president of Downey Board of Realtors to California Highway Commission (1967 March 24), Downey City Council Resolution no. 1875: a resolution of the city council of the freeway of the city of Downey supporting Southern route for the Century Freeway (1967 March 13), a resolution of the Board of Directors of the Downey Chamber of Commerce supporting the Southern route for the Century Freeway (1967 March 24), Council District 1 Survey sponsored by Donald H. Winton, Fact Sheet - Route 105 Interstate Freeway - Sepulveda Boulevard to San Gabriel River Freeway (1970 October 12).
DOI: 10.25549/centuryfwy-ouc113788517
title: Downey City Council, Century Freeway, 1967-03-13/1973-07-09

description: Downey City Council, documents regarding Century Freeway, 1967 March 24/1973 July 09. Includes statement by city councilman Donald H. Winton (1970 July 09), letter by Ned Young, president of Downey Board of Realtors to California Highway Commission (1967 March 24), Downey City Council Resolution no. 1875: a resolution of the city council of the freeway of the city of Downey supporting Southern route for the Century Freeway (1967 March 13), a resolution of the Board of Directors of the Downey Chamber of Commerce supporting the Southern route for the Century Freeway (1967 March 24), Council District 1 Survey sponsored by Donald H. Winton, Fact Sheet - Route 105 Interstate Freeway - Sepulveda Boulevard to San Gabriel River Freeway (1970 October 12).
DOI: 10.25549/centuryfwy-ouc113788735
title: Century Freeway quarterly report, 1980-11-15

description: Century Freeway quarterly report, 1980 November 15. Introduction by Barbara A. Nixon, Century Freeway coordinator.
DOI: 10.25549/centuryfwy-ouc113788765
title: Century Freeway quarterly report, 1980-11-15

description: Century Freeway quarterly report, 1980 November 15. Introduction by Barbara A. Nixon, Century Freeway coordinator.
DOI: 10.25549/centuryfwy-ouc113788772
title: Century Freeway quarterly report, 1980-11-15

description: Century Freeway quarterly report, 1980 November 15. Introduction by Barbara A. Nixon, Century Freeway coordinator.
DOI: 10.25549/centuryfwy-ouc113788764
title: Century Freeway quarterly report, 1980-11-15

description: Century Freeway quarterly report, 1980 November 15. Introduction by Barbara A. Nixon, Century Freeway coordinator.
DOI: 10.25549/centuryfwy-ouc113788733
title: Century Freeway quarterly report, 1980-11-15

description: Century Freeway quarterly report, 1980 November 15. Introduction by Barbara A. Nixon, Century Freeway coordinator.
DOI: 10.15468/dl.ufse46
title: Occurrence Download

description: A dataset containing 8 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Canada",
 "TaxonKey is Synaptomys borealis",
 "Year 2014-2025"
 ]
}

 The dataset includes 8 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0018455-251025141854904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25549/centuryfwy-ouc113788487
title: Downey City Council, Century Freeway, 1967-03-13/1973-07-09

description: Downey City Council, documents regarding Century Freeway, 1967 March 24/1973 July 09. Includes statement by city councilman Donald H. Winton (1970 July 09), letter by Ned Young, president of Downey Board of Realtors to California Highway Commission (1967 March 24), Downey City Council Resolution no. 1875: a resolution of the city council of the freeway of the city of Downey supporting Southern route for the Century Freeway (1967 March 13), a resolution of the Board of Directors of the Downey Chamber of Commerce supporting the Southern route for the Century Freeway (1967 March 24), Council District 1 Survey sponsored by Donald H. Winton, Fact Sheet - Route 105 Interstate Freeway - Sepulveda Boulevard to San Gabriel River Freeway (1970 October 12).
DOI: 10.25549/centuryfwy-ouc113788292
title: Downey City Council, Century Freeway, 1967-03-13/1973-07-09

description: Downey City Council, documents regarding Century Freeway, 1967 March 24/1973 July 09. Includes statement by city councilman Donald H. Winton (1970 July 09), letter by Ned Young, president of Downey Board of Realtors to California Highway Commission (1967 March 24), Downey City Council Resolution no. 1875: a resolution of the city council of the freeway of the city of Downey supporting Southern route for the Century Freeway (1967 March 13), a resolution of the Board of Directors of the Downey Chamber of Commerce supporting the Southern route for the Century Freeway (1967 March 24), Council District 1 Survey sponsored by Donald H. Winton, Fact Sheet - Route 105 Interstate Freeway - Sepulveda Boulevard to San Gabriel River Freeway (1970 October 12).
DOI: 10.60707/ax8f-9g24
title: OREX-803208-100 EELS SI
DOI: 10.25549/centuryfwy-ouc113788622
title: Thompson, "Considerations on the impact of proposed 105 'Century' Freeway - City of Downey", 1973-03-22

description: Charles W. Thompson, city manager, "Considerations on the impact of proposed 105 'Century' Freeway - City of Downey", inter-office memo to mayor and city council, 1973 March 22.
DOI: 10.25549/centuryfwy-ouc113788525
title: Scotto, "105 Freeway meetings", 1975-04-11

description: Hazel Scotto, "105 Freeway meetings", to city council and city manager, Downey, California, USA, 1975 April 11.
DOI: 10.60707/1t5m-ey82
title: OREX-803208-100 EELS SI
DOI: 10.25549/centuryfwy-ouc113788497
title: Scotto, "105 Freeway meetings", 1975-04-11

description: Hazel Scotto, "105 Freeway meetings", to city council and city manager, Downey, California, USA, 1975 April 11.
DOI: 10.25549/centuryfwy-ouc113788122
title: Century freeway job may be delayed because of housing project, 1980-09-29

description: "Century freeway job may be delayed because of housing project", Los Angeles Times, Part II, 1980 September 29. Partial clipping.
DOI: 10.5281/zenodo.11554819
title: modelforge curated dataset: QM9

description: Modelforge Curated QM9 Dataset:- 1000 conformer test dataset- Version: nc_1000_v1.2:

This provides a curated hdf5 file for a subset of the QM9 dataset to be used for testing purposes, designed to be compatible with modelforge, an infrastructure to implement and train NNPs.  This test dataset contains  1000 systems  with a single configuration for each unique molecule.

- This corrects a bug in the prior v1.1 that may have resulted in an incorrect value of the computed dipole moments. 

When applicable, the units of properties are provided in the datafile,  encoded as strings compatible with the openff-units package.  For more information about the structure of the data file, please see the following:



https://github.com/choderalab/modelforge/wiki/Dataset-and-curation#curation-module


Properties Included:     



atomic_numbers 

positions      



 "per_atom"

"nanometer"



partial_charges



"per_atom"

"elementary_charge"



polarizability 



"per_system"

"nanometer ** 3"



dipole_moment_per_system  (note, computed from partial charges)



"per_system"

"elementary_charge * nanometer"



dipole_moment_scalar_per_system (note, computed from partial charges)



"per_system"

"elementary_charge * nanometer"



energy_of_homo 



"per_system"

"kilojoule_per_mole"



lumo-homo_gap  



"per_system"

"kilojoule_per_mole"



zero_point_vibrational_energy  



"per_system"

"kilojoule_per_mole"



internal_energy_at_298.15K     



"per_system"

"kilojoule_per_mole"



internal_energy_at_0K  



"per_system"

"kilojoule_per_mole"



enthalpy_at_298.15K    



"per_system"

"kilojoule_per_mole"



free_energy_at_298.15K 



"per_system"

"kilojoule_per_mole"



heat_capacity_at_298.15K       



"per_system"

"kilojoule_per_mole / kelvin"



rotational_constants   



"per_system"

"gigahertz"



harmonic_vibrational_frequencies       



"per_system"

"1 / centimeter"



electronic_spatial_extent      



"per_system"

"nanometer ** 2"



smiles_gdb-17  



 "meta_data"

"meta_data"



inchi_corina    



"meta_data"



inchi_b3lyp    



"meta_data"



idx    



"meta_data"



tag    



"meta_data"




Original Source:

The QM9 dataset includes 133,885 organic molecules with up to nine total heavy atoms (C,O,N,or F; excluding H) original published by Ramakrishnan, et al. Properties in the QM9 dataset were calculated at the B3LYP/6-31G(2df,p) level of quantum chemistry.

Citations:

Original publication:



Ramakrishnan, R., Dral, P., Rupp, M. et al."Quantum chemistry structures and properties of 134 kilo molecules." Sci Data 1, 140022 (2014). https://doi.org/10.1038/sdata.2014.22


Source dataset, released with CCO 1.0 Universal license:



Ramakrishnan, Raghunathan; Dral, Pavlo; Rupp, Matthias; Anatole von Lilienfeld, O. (2014). Quantum chemistry structures and properties of 134 kilo molecules. figshare. Collection. https://doi.org/10.6084/m9.figshare.c.978904.v5