cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/cc12155g
title: CCDC 984224: Experimental Crystal Structure Determination

description: Related Article: Emile R. Engel, Vincent J. Smith, Charl X. Bezuidenhout, Leonard J. Barbour|2014|Chem.Commun.|50|4238|doi:10.1039/C4CC00849A
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/cc12156h
title: CCDC 984225: Experimental Crystal Structure Determination

description: Related Article: Emile R. Engel, Vincent J. Smith, Charl X. Bezuidenhout, Leonard J. Barbour|2014|Chem.Commun.|50|4238|doi:10.1039/C4CC00849A
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/cc12157j
title: CCDC 984226: Experimental Crystal Structure Determination

description: Related Article: Emile R. Engel, Vincent J. Smith, Charl X. Bezuidenhout, Leonard J. Barbour|2014|Chem.Commun.|50|4238|doi:10.1039/C4CC00849A
description: Related Article: Emile R. Engel, Vincent J. Smith, Charl X. Bezuidenhout, Leonard J. Barbour|2016|Chem.Mater.|28|5073|doi:10.1021/acs.chemmater.6b01916
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/cc12158k
title: CCDC 984227: Experimental Crystal Structure Determination

description: Related Article: Emile R. Engel, Vincent J. Smith, Charl X. Bezuidenhout, Leonard J. Barbour|2014|Chem.Commun.|50|4238|doi:10.1039/C4CC00849A
description: Related Article: Emile R. Engel, Vincent J. Smith, Charl X. Bezuidenhout, Leonard J. Barbour|2016|Chem.Mater.|28|5073|doi:10.1021/acs.chemmater.6b01916
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/cc12159l
title: CCDC 984228: Experimental Crystal Structure Determination

description: Related Article: Emile R. Engel, Vincent J. Smith, Charl X. Bezuidenhout, Leonard J. Barbour|2014|Chem.Commun.|50|4238|doi:10.1039/C4CC00849A
description: Related Article: Emile R. Engel, Vincent J. Smith, Charl X. Bezuidenhout, Leonard J. Barbour|2016|Chem.Mater.|28|5073|doi:10.1021/acs.chemmater.6b01916
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/cc1215bm
title: CCDC 984229: Experimental Crystal Structure Determination

description: Related Article: Emile R. Engel, Vincent J. Smith, Charl X. Bezuidenhout, Leonard J. Barbour|2014|Chem.Commun.|50|4238|doi:10.1039/C4CC00849A
description: Related Article: Emile R. Engel, Vincent J. Smith, Charl X. Bezuidenhout, Leonard J. Barbour|2016|Chem.Mater.|28|5073|doi:10.1021/acs.chemmater.6b01916
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/cc1215cn
title: CCDC 984230: Experimental Crystal Structure Determination

description: Related Article: Emile R. Engel, Vincent J. Smith, Charl X. Bezuidenhout, Leonard J. Barbour|2014|Chem.Commun.|50|4238|doi:10.1039/C4CC00849A
description: Related Article: Emile R. Engel, Vincent J. Smith, Charl X. Bezuidenhout, Leonard J. Barbour|2016|Chem.Mater.|28|5073|doi:10.1021/acs.chemmater.6b01916
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.17406734
title: Raw data for the Letter "Memory-efficient nonequilibrium Green's function framework built on quantics tensor trains"

description: Plain text data files containing the raw results of the QTT-NEGF simulations as presented in "Memory-efficient nonequilibrium Green’s function framework built on quantics tensor trains", Phys. Rev. Lett., 2025.

The momentum-resolved spectral functions are provided as a matrix of values, with the frequency omega range given separately in an appropriate file and the momentum range following a high-symmetry path in the Brillouin zone.
DOI: 10.5517/cc1215dp
title: CCDC 984231: Experimental Crystal Structure Determination

description: Related Article: Emile R. Engel, Vincent J. Smith, Charl X. Bezuidenhout, Leonard J. Barbour|2014|Chem.Commun.|50|4238|doi:10.1039/C4CC00849A
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/cc1215fq
title: CCDC 984232: Experimental Crystal Structure Determination

description: Related Article: Emile R. Engel, Vincent J. Smith, Charl X. Bezuidenhout, Leonard J. Barbour|2014|Chem.Commun.|50|4238|doi:10.1039/C4CC00849A
description: Related Article: Emile R. Engel, Vincent J. Smith, Charl X. Bezuidenhout, Leonard J. Barbour|2016|Chem.Mater.|28|5073|doi:10.1021/acs.chemmater.6b01916
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.17406733
title: Raw data for the Letter "Memory-efficient nonequilibrium Green's function framework built on quantics tensor trains"

description: Plain text data files containing the raw results of the QTT-NEGF simulations as presented in "Memory-efficient nonequilibrium Green’s function framework built on quantics tensor trains", Phys. Rev. Lett., 2025.

The momentum-resolved spectral functions are provided as a matrix of values, with the frequency omega range given separately in an appropriate file and the momentum range following a high-symmetry path in the Brillouin zone.
DOI: 10.5517/cc1215gr
title: CCDC 984233: Experimental Crystal Structure Determination

description: Related Article: N.R. Penthala, S. Bommagani, V. Janganati, S. Parkin, P.A. Crooks|2014|Acta Crystallogr.,Sect.E:Struct.Rep.Online|70|o251|doi:10.1107/S1600536814002177
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/cc1215hs
title: CCDC 984234: Experimental Crystal Structure Determination

description: Related Article: J.T. Mague, A.A.-M. Abdel-Aziz, A.S. El-Azab, M.A. El-Sherbeny|2014|Acta Crystallogr.,Sect.E:Struct.Rep.Online|70|o248|doi:10.1107/S1600536814002189
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/cc12164g
title: CCDC 984254: Experimental Crystal Structure Determination

description: Related Article: Aliakbar Dehno Khalaji, Jan Rohlicek, P. Machek, Debasi Das|2014|J.Cluster Sci.|25|1425|doi:10.1007/s10876-014-0719-z
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/cc12165h
title: CCDC 984255: Experimental Crystal Structure Determination

description: Related Article: Marike du Plessis, Vincent J. Smith, Leonard J. Barbour|2014|CrystEngComm|16|4126|doi:10.1039/C4CE00244J
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/cc12166j
title: CCDC 984256: Experimental Crystal Structure Determination

description: Related Article: Marike du Plessis, Vincent J. Smith, Leonard J. Barbour|2014|CrystEngComm|16|4126|doi:10.1039/C4CE00244J
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/cc12167k
title: CCDC 984257: Experimental Crystal Structure Determination

description: Related Article: Marike du Plessis, Vincent J. Smith, Leonard J. Barbour|2014|CrystEngComm|16|4126|doi:10.1039/C4CE00244J
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/cc12168l
title: CCDC 984258: Experimental Crystal Structure Determination

description: Related Article: Marike du Plessis, Vincent J. Smith, Leonard J. Barbour|2014|CrystEngComm|16|4126|doi:10.1039/C4CE00244J
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/cc12169m
title: CCDC 984259: Experimental Crystal Structure Determination

description: Related Article: Marike du Plessis, Vincent J. Smith, Leonard J. Barbour|2014|CrystEngComm|16|4126|doi:10.1039/C4CE00244J
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/cc1216bn
title: CCDC 984260: Experimental Crystal Structure Determination

description: Related Article: Pau Díaz-Gallifa, Oscar Fabelo, Jorge Pasán, Laura Cañadillas-Delgado , Francesc Lloret , Miguel Julve , and Catalina Ruiz-Pérez|2014|Inorg.Chem.|53|6299|doi:10.1021/ic5008582
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/cc1216cp
title: CCDC 984261: Experimental Crystal Structure Determination

description: Related Article: Pau Díaz-Gallifa, Oscar Fabelo, Jorge Pasán, Laura Cañadillas-Delgado , Francesc Lloret , Miguel Julve , and Catalina Ruiz-Pérez|2014|Inorg.Chem.|53|6299|doi:10.1021/ic5008582
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/cc1216dq
title: CCDC 984262: Experimental Crystal Structure Determination

description: Related Article: Pau Díaz-Gallifa, Oscar Fabelo, Jorge Pasán, Laura Cañadillas-Delgado , Francesc Lloret , Miguel Julve , and Catalina Ruiz-Pérez|2014|Inorg.Chem.|53|6299|doi:10.1021/ic5008582
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/cc1216fr
title: CCDC 984263: Experimental Crystal Structure Determination

description: Related Article: Pau Díaz-Gallifa, Oscar Fabelo, Jorge Pasán, Laura Cañadillas-Delgado , Francesc Lloret , Miguel Julve , and Catalina Ruiz-Pérez|2014|Inorg.Chem.|53|6299|doi:10.1021/ic5008582
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/cc1216gs
title: CCDC 984264: Experimental Crystal Structure Determination

description: Related Article: Pau Díaz-Gallifa, Oscar Fabelo, Jorge Pasán, Laura Cañadillas-Delgado , Francesc Lloret , Miguel Julve , and Catalina Ruiz-Pérez|2014|Inorg.Chem.|53|6299|doi:10.1021/ic5008582
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/cc1216ht
title: CCDC 984265: Experimental Crystal Structure Determination

description: Related Article: Pau Díaz-Gallifa, Oscar Fabelo, Jorge Pasán, Laura Cañadillas-Delgado , Francesc Lloret , Miguel Julve , and Catalina Ruiz-Pérez|2014|Inorg.Chem.|53|6299|doi:10.1021/ic5008582
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/cc1216kw
title: CCDC 984267: Experimental Crystal Structure Determination

description: Related Article: Paul M. Scola, Li-Qiang Sun, Alan Xiangdong Wang, Jie Chen, Ny Sin, Brian L. Venables, Sing-Yuen Sit, Yan Chen, Anthony Cocuzza, Donna M. Bilder, Stanley V. D’Andrea, Barbara Zheng, Piyasena Hewawasam, Yong Tu, Jacques Friborg, Paul Falk, Dennis Hernandez, Steven Levine, Chaoqun Chen, Fei Yu, Amy K. Sheaffer, Guangzhi Zhai, Diana Barry, Jay O. Knipe, Yong-Hae Han, Richard Schartman, Maria Donoso, Kathy Mosure, Michael W. Sinz, Tatyana Zvyaga, Andrew C. Good, Ramkumar Rajamani, Kevin Kish, Jeffrey Tredup, Herbert E. Klei, Qi Gao, Luciano Mueller, Richard J. Colonno, Dennis M. Grasela, Stephen P. Adams, James Loy, Paul C. Levesque, Huabin Sun, Hong Shi, Lucy Sun, William Warner, Danshi Li, Jialong Zhu, Nicholas A. Meanwell, and Fiona McPhee|2014|J.Med.Chem.|57|1730|doi:10.1021/jm500297k
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/cc1215jt
title: CCDC 984235: Experimental Crystal Structure Determination

description: Related Article: L.A. Mitchell, M.L. Mejía, S.G. Keskin, B.J. Holliday|2014|Acta Crystallogr.,Sect.E:Struct.Rep.Online|70|o285|doi:10.1107/S1600536814002207
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/cc1216q1
title: CCDC 984272: Experimental Crystal Structure Determination

description: Related Article: Doris E. Braun, Jennifer A. McMahon, Lien H. Koztecki, Sarah L. Price, and Susan M. Reutzel-Edens|2014|Cryst.Growth Des.|14|2056|doi:10.1021/cg500185h
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/cc1216r2
title: CCDC 984273: Experimental Crystal Structure Determination

description: Related Article: Doris E. Braun, Jennifer A. McMahon, Lien H. Koztecki, Sarah L. Price, and Susan M. Reutzel-Edens|2014|Cryst.Growth Des.|14|2056|doi:10.1021/cg500185h
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/cc1216s3
title: CCDC 984274: Experimental Crystal Structure Determination

description: Related Article: Doris E. Braun, Jennifer A. McMahon, Lien H. Koztecki, Sarah L. Price, and Susan M. Reutzel-Edens|2014|Cryst.Growth Des.|14|2056|doi:10.1021/cg500185h
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/cc1216t4
title: CCDC 984275: Experimental Crystal Structure Determination

description: Related Article: Muhieddine Safa, Richard J. Puddephatt|2014|J.Organomet.Chem.|761|42|doi:10.1016/j.jorganchem.2014.03.014
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/cc1216v5
title: CCDC 984276: Experimental Crystal Structure Determination

description: Related Article: Muhieddine Safa, Richard J. Puddephatt|2014|J.Organomet.Chem.|761|42|doi:10.1016/j.jorganchem.2014.03.014
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/cc1216w6
title: CCDC 984277: Experimental Crystal Structure Determination

description: Related Article: Muhieddine Safa, Richard J. Puddephatt|2014|J.Organomet.Chem.|761|42|doi:10.1016/j.jorganchem.2014.03.014
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/cc1216x7
title: CCDC 984278: Experimental Crystal Structure Determination

description: Related Article: Muhieddine Safa, Richard J. Puddephatt|2014|J.Organomet.Chem.|761|42|doi:10.1016/j.jorganchem.2014.03.014
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/cc1216y8
title: CCDC 984279: Experimental Crystal Structure Determination

description: Related Article: Muhieddine Safa, Richard J. Puddephatt|2014|J.Organomet.Chem.|761|42|doi:10.1016/j.jorganchem.2014.03.014
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/cc1216z9
title: CCDC 984280: Experimental Crystal Structure Determination

description: Related Article: Masato Hirai, François P. Gabbaï|2014|Chemical Science|5|1886|doi:10.1039/C4SC00343H
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.