cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/cc1k4dbf
title: CCDC 1434194: Experimental Crystal Structure Determination

description: Related Article: Benjamin Eberle, Marko Damjanović, Markus Enders, Simone Leingang, Jessica Pfisterer, Christoph Krämer, Olaf Hübner, Elisabeth Kaifer, and Hans-Jörg Himmel|2016|Inorg.Chem.|55|1683|doi:10.1021/acs.inorgchem.5b02614
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/cc1k4dcg
title: CCDC 1434195: Experimental Crystal Structure Determination

description: Related Article: Benjamin Eberle, Marko Damjanović, Markus Enders, Simone Leingang, Jessica Pfisterer, Christoph Krämer, Olaf Hübner, Elisabeth Kaifer, and Hans-Jörg Himmel|2016|Inorg.Chem.|55|1683|doi:10.1021/acs.inorgchem.5b02614
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/cc1k4ddh
title: CCDC 1434196: Experimental Crystal Structure Determination

description: Related Article: Benjamin Eberle, Marko Damjanović, Markus Enders, Simone Leingang, Jessica Pfisterer, Christoph Krämer, Olaf Hübner, Elisabeth Kaifer, and Hans-Jörg Himmel|2016|Inorg.Chem.|55|1683|doi:10.1021/acs.inorgchem.5b02614
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/cc1k4dfj
title: CCDC 1434197: Experimental Crystal Structure Determination

description: Related Article: Benjamin Eberle, Marko Damjanović, Markus Enders, Simone Leingang, Jessica Pfisterer, Christoph Krämer, Olaf Hübner, Elisabeth Kaifer, and Hans-Jörg Himmel|2016|Inorg.Chem.|55|1683|doi:10.1021/acs.inorgchem.5b02614
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/cc1k4dgk
title: CCDC 1434198: Experimental Crystal Structure Determination

description: Related Article: Benjamin Eberle, Marko Damjanović, Markus Enders, Simone Leingang, Jessica Pfisterer, Christoph Krämer, Olaf Hübner, Elisabeth Kaifer, and Hans-Jörg Himmel|2016|Inorg.Chem.|55|1683|doi:10.1021/acs.inorgchem.5b02614
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/cc1k4dhl
title: CCDC 1434199: Experimental Crystal Structure Determination

description: Related Article: Benjamin Eberle, Marko Damjanović, Markus Enders, Simone Leingang, Jessica Pfisterer, Christoph Krämer, Olaf Hübner, Elisabeth Kaifer, and Hans-Jörg Himmel|2016|Inorg.Chem.|55|1683|doi:10.1021/acs.inorgchem.5b02614
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/cc14456n
title: CCDC 1046690: Experimental Crystal Structure Determination

description: Related Article: D. Jędrzkiewicz, J. Ejfler, Ł. John, S. Szafert|2016|Dalton Trans.|45|2829|doi:10.1039/C5DT03883A
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/cc1jwzjx
title: CCDC 1427070: Experimental Crystal Structure Determination

description: Related Article: D. Jędrzkiewicz, J. Ejfler, Ł. John, S. Szafert|2016|Dalton Trans.|45|2829|doi:10.1039/C5DT03883A
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/cc14455m
title: CCDC 1046689: Experimental Crystal Structure Determination

description: Related Article: D. Jędrzkiewicz, J. Ejfler, Ł. John, S. Szafert|2016|Dalton Trans.|45|2829|doi:10.1039/C5DT03883A
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/cc1jlz36
title: CCDC 1418408: Experimental Crystal Structure Determination

description: Related Article: Đani Škalamera, Ernest Sanders, Robert Vianello, Aleksandra Maršavelski, Andrej Pevec, Iztok Turel, Srećko I. Kirin|2016|Dalton Trans.|45|2845|doi:10.1039/C5DT03387J
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/cc1jlz47
title: CCDC 1418409: Experimental Crystal Structure Determination

description: Related Article: Đani Škalamera, Ernest Sanders, Robert Vianello, Aleksandra Maršavelski, Andrej Pevec, Iztok Turel, Srećko I. Kirin|2016|Dalton Trans.|45|2845|doi:10.1039/C5DT03387J
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/cc1jwzky
title: CCDC 1427071: Experimental Crystal Structure Determination

description: Related Article: D. Jędrzkiewicz, J. Ejfler, Ł. John, S. Szafert|2016|Dalton Trans.|45|2829|doi:10.1039/C5DT03883A
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/cc1jlz58
title: CCDC 1418410: Experimental Crystal Structure Determination

description: Related Article: Đani Škalamera, Ernest Sanders, Robert Vianello, Aleksandra Maršavelski, Andrej Pevec, Iztok Turel, Srećko I. Kirin|2016|Dalton Trans.|45|2845|doi:10.1039/C5DT03387J
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/cc1k4dmq
title: CCDC 1434203: Experimental Crystal Structure Determination

description: Related Article: D. Jędrzkiewicz, J. Ejfler, Ł. John, S. Szafert|2016|Dalton Trans.|45|2829|doi:10.1039/C5DT03883A
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/cc1jlz69
title: CCDC 1418411: Experimental Crystal Structure Determination

description: Related Article: Đani Škalamera, Ernest Sanders, Robert Vianello, Aleksandra Maršavelski, Andrej Pevec, Iztok Turel, Srećko I. Kirin|2016|Dalton Trans.|45|2845|doi:10.1039/C5DT03387J
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/cc1jlz7b
title: CCDC 1418412: Experimental Crystal Structure Determination

description: Related Article: Đani Škalamera, Ernest Sanders, Robert Vianello, Aleksandra Maršavelski, Andrej Pevec, Iztok Turel, Srećko I. Kirin|2016|Dalton Trans.|45|2845|doi:10.1039/C5DT03387J
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/cc1jlz8c
title: CCDC 1418413: Experimental Crystal Structure Determination

description: Related Article: Đani Škalamera, Ernest Sanders, Robert Vianello, Aleksandra Maršavelski, Andrej Pevec, Iztok Turel, Srećko I. Kirin|2016|Dalton Trans.|45|2845|doi:10.1039/C5DT03387J
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/cc1jlz9d
title: CCDC 1418414: Experimental Crystal Structure Determination

description: Related Article: Đani Škalamera, Ernest Sanders, Robert Vianello, Aleksandra Maršavelski, Andrej Pevec, Iztok Turel, Srećko I. Kirin|2016|Dalton Trans.|45|2845|doi:10.1039/C5DT03387J
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/cc1jlzbf
title: CCDC 1418415: Experimental Crystal Structure Determination

description: Related Article: Đani Škalamera, Ernest Sanders, Robert Vianello, Aleksandra Maršavelski, Andrej Pevec, Iztok Turel, Srećko I. Kirin|2016|Dalton Trans.|45|2845|doi:10.1039/C5DT03387J
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.cc1k4dnr
title: CCDC 1434204: Experimental Crystal Structure Determination

description: Related Article: Shuwen Xue, Jiaming Liu, Cunde Wang|2016|Eur.J.Org.Chem.|2016|2450|doi:10.1002/ejoc.201600227
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.15226297
title: Dataset of "Complete biodiverse lignocellulosic biomass fractionation process using the green solvent γ-valerolactone"

description: The dataset contains parameters for molecular dynamics (MD) simulations used in the study of p-coumaryl alcohol (PCA) interactions with mixture of water and gamma-valerolactone (GVL). For selected conditions (neat water, neat gamma-valerolactone, and 50:50mol% mixture), full simulation output is provided along with spatial distribution functions of water and GVL around central PCA molecule. Next, the dataset also contains the sigma-profiles of PCA and solvents developed in this study for use within the open-source COSMO-SAC model. Input files for respective quantum mechanical (QM) calculations of molecular surface screening charge densities using Gaussian 16 software are included as well. Tthese files also contain optimized molecular geometries at which the sigma-profiles were calculated.
DOI: 10.5281/zenodo.15226298
title: Dataset of "Complete biodiverse lignocellulosic biomass fractionation process using the green solvent γ-valerolactone"

description: The dataset contains parameters for molecular dynamics (MD) simulations used in the study of p-coumaryl alcohol (PCA) interactions with mixture of water and gamma-valerolactone (GVL). For selected conditions (neat water, neat gamma-valerolactone, and 50:50mol% mixture), full simulation output is provided along with spatial distribution functions of water and GVL around central PCA molecule. Next, the dataset also contains the sigma-profiles of PCA and solvents developed in this study for use within the open-source COSMO-SAC model. Input files for respective quantum mechanical (QM) calculations of molecular surface screening charge densities using Gaussian 16 software are included as well. Tthese files also contain optimized molecular geometries at which the sigma-profiles were calculated.
DOI: 10.5517/cc1jlzcg
title: CCDC 1418416: Experimental Crystal Structure Determination

description: Related Article: Đani Škalamera, Ernest Sanders, Robert Vianello, Aleksandra Maršavelski, Andrej Pevec, Iztok Turel, Srećko I. Kirin|2016|Dalton Trans.|45|2845|doi:10.1039/C5DT03387J
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/cc1jlzdh
title: CCDC 1418417: Experimental Crystal Structure Determination

description: Related Article: Đani Škalamera, Ernest Sanders, Robert Vianello, Aleksandra Maršavelski, Andrej Pevec, Iztok Turel, Srećko I. Kirin|2016|Dalton Trans.|45|2845|doi:10.1039/C5DT03387J
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/cc1k4dps
title: CCDC 1434205: Experimental Crystal Structure Determination

description: Related Article: K. Durka, T. Kliś, J. Serwatowski|2015|Acta Crystallogr.,Sect.E:Cryst.Commun.|71|1471|doi:10.1107/S205698901502054X
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.cc1k4dqt
title: CCDC 1434206: Experimental Crystal Structure Determination

description: Related Article: Elena Guercia, Federico Berti, Luciano Navarini, Nicola Demitri, Cristina Forzato|2016|Tetrahedron:Asymm.|27|649|doi:10.1016/j.tetasy.2016.06.008
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.cc1k4drv
title: CCDC 1434207: Experimental Crystal Structure Determination

description: Related Article: Elena Guercia, Federico Berti, Luciano Navarini, Nicola Demitri, Cristina Forzato|2016|Tetrahedron:Asymm.|27|649|doi:10.1016/j.tetasy.2016.06.008
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/cc1k4dtx
title: CCDC 1434209: Experimental Crystal Structure Determination

description: Related Article: T.J. Lukianova, V. Kinzhybalo, A. Pietraszko|2015|Acta Crystallogr.,Sect.E:Cryst.Commun.|71|1444|doi:10.1107/S2056989015020538
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.cc1k4dsw
title: CCDC 1434208: Experimental Crystal Structure Determination

description: Related Article: Elena Guercia, Federico Berti, Luciano Navarini, Nicola Demitri, Cristina Forzato|2016|Tetrahedron:Asymm.|27|649|doi:10.1016/j.tetasy.2016.06.008
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.cc1k4f6b
title: CCDC 1434221: Experimental Crystal Structure Determination

description: Related Article: Chengmin Ji, Shenhui Li, Feng Deng, Sijie Liu, Muhammad Adnan Asghar, Zhihua Sun, Maochun Hong, Junhua Luo|2016|Phys.Chem.Chem.Phys.(PCCP)|18|10868|doi:10.1039/C6CP01073C
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.cc1k4f7c
title: CCDC 1434222: Experimental Crystal Structure Determination

description: Related Article: Chengmin Ji, Shenhui Li, Feng Deng, Sijie Liu, Muhammad Adnan Asghar, Zhihua Sun, Maochun Hong, Junhua Luo|2016|Phys.Chem.Chem.Phys.(PCCP)|18|10868|doi:10.1039/C6CP01073C
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: 10.25525/kba-fdzoff.faerz.2016.3
title: Zugang in das Fahreignungsregister 2016 (Off-Site)
DOI: 10.5517/cc1k4fch
title: CCDC 1434226: Experimental Crystal Structure Determination

description: Related Article: Lionel V. Graux, Michel Giorgi, Gérard Buono, Hervé Clavier|2016|Dalton Trans.|45|6491|doi:10.1039/C5DT04683A
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/cc1k4fdj
title: CCDC 1434227: Experimental Crystal Structure Determination

description: Related Article: Lionel V. Graux, Michel Giorgi, Gérard Buono, Hervé Clavier|2016|Dalton Trans.|45|6491|doi:10.1039/C5DT04683A
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/cc1k4ffk
title: CCDC 1434228: Experimental Crystal Structure Determination

description: Related Article: Lionel V. Graux, Michel Giorgi, Gérard Buono, Hervé Clavier|2016|Dalton Trans.|45|6491|doi:10.1039/C5DT04683A
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/cc1k4fgl
title: CCDC 1434229: Experimental Crystal Structure Determination

description: Related Article: Lionel V. Graux, Michel Giorgi, Gérard Buono, Hervé Clavier|2016|Dalton Trans.|45|6491|doi:10.1039/C5DT04683A
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/cc1k4fhm
title: CCDC 1434230: Experimental Crystal Structure Determination

description: Related Article: Lionel V. Graux, Michel Giorgi, Gérard Buono, Hervé Clavier|2016|Dalton Trans.|45|6491|doi:10.1039/C5DT04683A
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.