cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/cc5wvgb
title: CCDC 175722: Experimental Crystal Structure Determination

description: Related Article: J.S.L.Yeo, J.J.Vittal, T.S.A.Hor|2003|Eur.J.Inorg.Chem.|2003|277|doi:10.1002/ejic.200390037
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/cc5wvhc
title: CCDC 175723: Experimental Crystal Structure Determination

description: Related Article: J.S.L.Yeo, J.J.Vittal, T.S.A.Hor|2003|Eur.J.Inorg.Chem.|2003|277|doi:10.1002/ejic.200390037
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/cc6ggfj
title: CCDC 192647: Experimental Crystal Structure Determination

description: Related Article: Yunjie Luo, Yingming Yao, Qi Shen, Kaibei Yu, Linhong Weng|2003|Eur.J.Inorg.Chem.|2003|318|doi:10.1002/ejic.200390043
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/cc6gggk
title: CCDC 192648: Experimental Crystal Structure Determination

description: Related Article: Yunjie Luo, Yingming Yao, Qi Shen, Kaibei Yu, Linhong Weng|2003|Eur.J.Inorg.Chem.|2003|318|doi:10.1002/ejic.200390043
description: Related Article: Yunjie Luo, Yingming Yao, Qi Shen|2002|Macromolecules|35|8670|doi:10.1021/ma0211380
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.17344419
title: POPC Openff-2.2.1 run1

description: POPC simuated at 298.15K

Charges assigned with openff-gnn-am1bcc-1.0.0.pt

sage-2.2.1.offxml

Run1
DOI: 10.5281/zenodo.17344420
title: POPC Openff-2.2.1 run1

description: POPC simuated at 298.15K

Charges assigned with openff-gnn-am1bcc-1.0.0.pt

sage-2.2.1.offxml

Run1
DOI: 10.5517/cc5x84g
title: CCDC 176115: Experimental Crystal Structure Determination

description: Related Article: M.R.J.Elsegood, K.E.Holmes, P.F.Kelly, E.J.MacLean, J.Parr, J.M.Stonehouse|2003|Eur.J.Inorg.Chem.|2003|120|doi:10.1002/ejic.200390012
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/cc684k4
title: CCDC 186575: Experimental Crystal Structure Determination

description: Related Article: M.R.J.Elsegood, K.E.Holmes, P.F.Kelly, E.J.MacLean, J.Parr, J.M.Stonehouse|2003|Eur.J.Inorg.Chem.|2003|120|doi:10.1002/ejic.200390012
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/cc684l5
title: CCDC 186576: Experimental Crystal Structure Determination

description: Related Article: M.R.J.Elsegood, K.E.Holmes, P.F.Kelly, E.J.MacLean, J.Parr, J.M.Stonehouse|2003|Eur.J.Inorg.Chem.|2003|120|doi:10.1002/ejic.200390012
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/cc6w55d
title: CCDC 204853: Experimental Crystal Structure Determination

description: Related Article: Yingzhong Chen, H.V.R.Dias, C.J.Lovely|2003|Tetrahedron Lett.|44|1379|doi:10.1016/S0040-4039(02)02864-2
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/cc6w56f
title: CCDC 204854: Experimental Crystal Structure Determination

description: Related Article: Yingzhong Chen, H.V.R.Dias, C.J.Lovely|2003|Tetrahedron Lett.|44|1379|doi:10.1016/S0040-4039(02)02864-2
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/cc6w5px
title: CCDC 204869: Experimental Crystal Structure Determination

description: Related Article: A.Neves, L.M.Rossi, A.J.Bortoluzzi, A.S.Mangrich, W.Haase, O.R.Nascimento|2002|Inorg.Chem.Commun.|5|418|doi:10.1016/S1387-7003(02)00436-7
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/cc6w8kw
title: CCDC 204958: Experimental Crystal Structure Determination

description: Related Article: P.C.R.Soares-Santos, H.I.S.Nogueira, V.Felix, M.G.B.Drew, R.A.Sa Ferreira, L.D.Carlos, T.Trindade|2003|Chem.Mater.|15|100|doi:10.1021/cm021188j
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/cc6w8lx
title: CCDC 204959: Experimental Crystal Structure Determination

description: Related Article: T.J.Boyle, E.N.Coker, C.A.Zechmann, J.A.Voigt, M.A.Rodriguez, R.A.Kemp, M.Z.Mallen|2003|Chem.Mater.|15|309|doi:10.1021/cm020802o
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/cc6whzj
title: CCDC 205188: Experimental Crystal Structure Determination

description: Related Article: S.Saaby, P.Bayon, P.S.Aburel, K.A.Jorgensen|2002|J.Org.Chem.|67|4352|doi:10.1021/jo0256787
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/cc6wj0l
title: CCDC 205189: Experimental Crystal Structure Determination

description: Related Article: S.Saaby, P.Bayon, P.S.Aburel, K.A.Jorgensen|2002|J.Org.Chem.|67|4352|doi:10.1021/jo0256787
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/cc6c0sb
title: CCDC 189341: Experimental Crystal Structure Determination

description: Related Article: G.J.Halder, C.J.Kepert, B.Moubaraki, K.S.Murray, J.D.Cashion|2002|Science|298|1762|doi:10.1126/science.1075948
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/cc6nxwm
title: CCDC 198861: Experimental Crystal Structure Determination

description: Related Article: J.E.Dahl, S.G.Liu, R.M.K.Carlson|2003|Science|299|96|doi:10.1126/science.1078239
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/cc6c0r9
title: CCDC 189340: Experimental Crystal Structure Determination

description: Related Article: G.J.Halder, C.J.Kepert, B.Moubaraki, K.S.Murray, J.D.Cashion|2002|Science|298|1762|doi:10.1126/science.1075948
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/cc6c0tc
title: CCDC 189342: Experimental Crystal Structure Determination

description: Related Article: G.J.Halder, C.J.Kepert, B.Moubaraki, K.S.Murray, J.D.Cashion|2002|Science|298|1762|doi:10.1126/science.1075948
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/cc6wqg7
title: CCDC 205389: Experimental Crystal Structure Determination

description: Related Article: P.J.Lombardi, Yonghong Gan, D.M.Lemal|2002|Collect.Czech.Chem.Commun.|67|1486|doi:10.1135/cccc20021486
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/cc6wqrj
title: CCDC 205398: Experimental Crystal Structure Determination

description: Related Article: H.E.Zimmerman, G.A.Sereda|2003|J.Org.Chem.|68|283|doi:10.1021/jo026279e
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/cc6wqsk
title: CCDC 205399: Experimental Crystal Structure Determination

description: Related Article: H.E.Zimmerman, G.A.Sereda|2003|J.Org.Chem.|68|283|doi:10.1021/jo026279e
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/cc6wqtl
title: CCDC 205400: Experimental Crystal Structure Determination

description: Related Article: H.E.Zimmerman, G.A.Sereda|2003|J.Org.Chem.|68|283|doi:10.1021/jo026279e
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/cc6wqvm
title: CCDC 205401: Experimental Crystal Structure Determination

description: Related Article: H.E.Zimmerman, G.A.Sereda|2003|J.Org.Chem.|68|283|doi:10.1021/jo026279e
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/cc6wqwn
title: CCDC 205402: Experimental Crystal Structure Determination

description: Related Article: H.E.Zimmerman, G.A.Sereda|2003|J.Org.Chem.|68|283|doi:10.1021/jo026279e
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/cc5z81f
title: CCDC 178034: Experimental Crystal Structure Determination

description: Related Article: V.Iyengar, P.V.Galka, A.Pletsch, H.-B.Kraatz|2002|Can.J.Chem.|80|1562|doi:10.1139/v02-143
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/cc6wqxp
title: CCDC 205403: Experimental Crystal Structure Determination

description: Related Article: H.E.Zimmerman, G.A.Sereda|2003|J.Org.Chem.|68|283|doi:10.1021/jo026279e
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/cc63jqj
title: CCDC 182147: Experimental Crystal Structure Determination

description: Related Article: J.Utko, S.Przybylak, L.B.Jerzykiewicz, S.Szafert, P.Sobota|2003|Chem.-Eur.J.|9|181|doi:10.1002/chem.200390011
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/cc63jrk
title: CCDC 182148: Experimental Crystal Structure Determination

description: Related Article: J.Utko, S.Przybylak, L.B.Jerzykiewicz, S.Szafert, P.Sobota|2003|Chem.-Eur.J.|9|181|doi:10.1002/chem.200390011
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/cc63jsl
title: CCDC 182149: Experimental Crystal Structure Determination

description: Related Article: J.Utko, S.Przybylak, L.B.Jerzykiewicz, S.Szafert, P.Sobota|2003|Chem.-Eur.J.|9|181|doi:10.1002/chem.200390011
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/cc63jtm
title: CCDC 182150: Experimental Crystal Structure Determination

description: Related Article: J.Utko, S.Przybylak, L.B.Jerzykiewicz, S.Szafert, P.Sobota|2003|Chem.-Eur.J.|9|181|doi:10.1002/chem.200390011
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/cc63jvn
title: CCDC 182151: Experimental Crystal Structure Determination

description: Related Article: J.Utko, S.Przybylak, L.B.Jerzykiewicz, S.Szafert, P.Sobota|2003|Chem.-Eur.J.|9|181|doi:10.1002/chem.200390011
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/cc63jwp
title: CCDC 182152: Experimental Crystal Structure Determination

description: Related Article: J.Utko, S.Przybylak, L.B.Jerzykiewicz, S.Szafert, P.Sobota|2003|Chem.-Eur.J.|9|181|doi:10.1002/chem.200390011
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/cc63jxq
title: CCDC 182153: Experimental Crystal Structure Determination

description: Related Article: J.Utko, S.Przybylak, L.B.Jerzykiewicz, S.Szafert, P.Sobota|2003|Chem.-Eur.J.|9|181|doi:10.1002/chem.200390011
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/cc6bdc8
title: CCDC 188739: Experimental Crystal Structure Determination

description: Related Article: P.Kilian, A.M.Z.Slawin, J.D.Woollins|2003|Chem.-Eur.J.|9|215|doi:10.1002/chem.200390015
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/cc6bdd9
title: CCDC 188740: Experimental Crystal Structure Determination

description: Related Article: P.Kilian, A.M.Z.Slawin, J.D.Woollins|2003|Chem.-Eur.J.|9|215|doi:10.1002/chem.200390015
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/cc6bdfb
title: CCDC 188741: Experimental Crystal Structure Determination

description: Related Article: P.Kilian, A.M.Z.Slawin, J.D.Woollins|2003|Chem.-Eur.J.|9|215|doi:10.1002/chem.200390015
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/cc6194n
title: CCDC 179990: Experimental Crystal Structure Determination

description: Related Article: J.Kotek, P.Lubal, P.Hermann, I.Cisarova, I.Lukes, T.Godula, I.Svobodova, P.Taborsky, J.Havel|2003|Chem.-Eur.J.|9|233|doi:10.1002/chem.200390017
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/cc6195p
title: CCDC 179991: Experimental Crystal Structure Determination

description: Related Article: J.Kotek, P.Lubal, P.Hermann, I.Cisarova, I.Lukes, T.Godula, I.Svobodova, P.Taborsky, J.Havel|2003|Chem.-Eur.J.|9|233|doi:10.1002/chem.200390017
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/cc6196q
title: CCDC 179992: Experimental Crystal Structure Determination

description: Related Article: J.Kotek, P.Lubal, P.Hermann, I.Cisarova, I.Lukes, T.Godula, I.Svobodova, P.Taborsky, J.Havel|2003|Chem.-Eur.J.|9|233|doi:10.1002/chem.200390017
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.