cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15468/dl.gxvegy
title: Occurrence Download

description: A dataset containing 49 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is BOLD:AAV6830"
 ]
}

 The dataset includes 49 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0009069-250711103210423/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.3zdycj
title: Occurrence Download

description: A dataset containing 657 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Columnea medicinalis"
 ]
}

 The dataset includes 657 records from 31 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0009071-250711103210423/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.bb3ar6
title: Occurrence Download

description: A dataset containing 16 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Salix salamonii",
 "Country is Norway",
 "HasCoordinate is true"
 ]
}

 The dataset includes 16 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002177-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/cc5tsg6
title: CCDC 173738: Experimental Crystal Structure Determination

description: Related Article: J.E.Field, D.Venkataraman|2002|Chem.Commun.||306|doi:10.1039/b110049a
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/cc5t010
title: CCDC 172981: Experimental Crystal Structure Determination

description: Related Article: F.Boschetti, F.Denat, E.Espinosa, R.Guilard|2002|Chem.Commun.||312|doi:10.1039/b108244b
description: Related Article: F.Boschetti, F.Denat, E.Espinosa, A.Tabard, Y.Dory, R.Guilard|2005|J.Org.Chem.|70|7042|doi:10.1021/jo050306u
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/cc5y25b
title: CCDC 176891: Experimental Crystal Structure Determination

description: Related Article: L.Scoles, B.T.Sterenberg, K.A.Udachin, A.J.Carty|2002|Chem.Commun.||320|doi:10.1039/b110927h
description: Related Article: L.Scoles, B.T.Sterenberg, K.A.Udachin, A.J.Carty|2002|Can.J.Chem.|80|1538|doi:10.1139/v02-100
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/cc5spqb
title: CCDC 172692: Experimental Crystal Structure Determination

description: Related Article: P.J.Steel, C.J.Sumby|2002|Chem.Commun.||322|doi:10.1039/b109214f
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/cc5y26c
title: CCDC 176892: Experimental Crystal Structure Determination

description: Related Article: L.Scoles, B.T.Sterenberg, K.A.Udachin, A.J.Carty|2002|Chem.Commun.||320|doi:10.1039/b110927h
description: Related Article: L.Scoles, B.T.Sterenberg, K.A.Udachin, A.J.Carty|2002|Can.J.Chem.|80|1538|doi:10.1139/v02-100
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/cc5lm6k
title: CCDC 166848: Experimental Crystal Structure Determination

description: Related Article: P.Shahgaldian, M.Cesario, P.Goreloff, A.W.Coleman|2002|Chem.Commun.||326|doi:10.1039/b111367b
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/cc5tkm4
title: CCDC 173526: Experimental Crystal Structure Determination

description: Related Article: C.Bucher, D.Seidel, V.Lynch, J.L.Sessler|2002|Chem.Commun.||328|doi:10.1039/b109877b
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/cc5pzf7
title: CCDC 170079: Experimental Crystal Structure Determination

description: Related Article: J.Seitz, G.Maas|2002|Chem.Commun.||338|doi:10.1039/b110478k
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/cc5t638
title: CCDC 173169: Experimental Crystal Structure Determination

description: Related Article: D.Black, A.J.Blake, R.L.Finn, L.F.Lindoy, A.Nezhadali, G.Rougnaghi, P.A.Tasker, M.Schroder|2002|Chem.Commun.||340|doi:10.1039/b109635b
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/cc5t627
title: CCDC 173168: Experimental Crystal Structure Determination

description: Related Article: D.Black, A.J.Blake, R.L.Finn, L.F.Lindoy, A.Nezhadali, G.Rougnaghi, P.A.Tasker, M.Schroder|2002|Chem.Commun.||340|doi:10.1039/b109635b
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/cc5ts7z
title: CCDC 173731: Experimental Crystal Structure Determination

description: Related Article: S.Deerenberg, M.Schakel, A.H.J.F.de Keijzer, M.Kranenburg, M.Lutz, A.L.Spek, K.Lammertsma|2002|Chem.Commun.||348|doi:10.1039/b109816k
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/cc5tsb2
title: CCDC 173734: Experimental Crystal Structure Determination

description: Related Article: P.K.Thallapally, A.K.Katz, H.L.Carrell, G.R.Desiraju|2002|Chem.Commun.||344|doi:10.1039/b110036j
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/cc5tsc3
title: CCDC 173735: Experimental Crystal Structure Determination

description: Related Article: P.K.Thallapally, A.K.Katz, H.L.Carrell, G.R.Desiraju|2002|Chem.Commun.||344|doi:10.1039/b110036j
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/cc5vbz9
title: CCDC 174281: Experimental Crystal Structure Determination

description: Related Article: Zengquan Qin, M.C.Jennings, R.J.Puddephatt|2002|Chem.Commun.||354|doi:10.1039/b110307e
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/cc5vc0c
title: CCDC 174282: Experimental Crystal Structure Determination

description: Related Article: Zengquan Qin, M.C.Jennings, R.J.Puddephatt|2002|Chem.Commun.||354|doi:10.1039/b110307e
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/cc5vv4z
title: CCDC 174751: Experimental Crystal Structure Determination

description: Related Article: L.O.Abouderbala, W.J.Belcher, M.G.Boutelle, P.J.Cragg, J.Dhaliwal, M.Fabre, J.W.Steed, D.R.Turner, K.J.Wallace|2002|Chem.Commun.||358|doi:10.1039/b110576k
description: Related Article: K.J.Wallace, W.J.Belcher, D.R.Turner, K.F.Syed, J.W.Steed|2003|J.Am.Chem.Soc.|125|9699|doi:10.1021/ja034921w
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/cc5qy82
title: CCDC 171004: Experimental Crystal Structure Determination

description: Related Article: B.Turner, A.Shterenberg, M.Kapon, K.Suwinska, Y.Eichen|2002|Chem.Commun.||404|doi:10.1039/b106162n
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/cc5y519
title: CCDC 176980: Experimental Crystal Structure Determination

description: Related Article: S.Nishihara, T.Akutagawa, T.Hasegawa, T.Nakamura|2002|Chem.Commun.||408|doi:10.1039/b110368g
description: Related Article: S.Nishihara, T.Akutagawa, T.Hasegawa, S.Fujiyama, T.Nakamura, T.Nakamura|2002|J.Solid State Chem.|168|661|doi:10.1006/jssc.2002.9764
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/cc5s323
title: CCDC 172114: Experimental Crystal Structure Determination

description: Related Article: H.Adams, S.Clunas, D.E.Fenton|2002|Chem.Commun.||418|doi:10.1039/b109019b
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/cc5y52b
title: CCDC 176981: Experimental Crystal Structure Determination

description: Related Article: S.Nishihara, T.Akutagawa, T.Hasegawa, T.Nakamura|2002|Chem.Commun.||408|doi:10.1039/b110368g
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/cc5qlr6
title: CCDC 170678: Experimental Crystal Structure Determination

description: Related Article: M.L.N.Rao, H.Houjou, K.Hiratani|2002|Chem.Commun.||420|doi:10.1039/b106447a
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/cc5qls7
title: CCDC 170679: Experimental Crystal Structure Determination

description: Related Article: M.L.N.Rao, H.Houjou, K.Hiratani|2002|Chem.Commun.||420|doi:10.1039/b106447a
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/cc5tvrk
title: CCDC 173809: Experimental Crystal Structure Determination

description: Related Article: Bao-Qing Ma, P.Coppens|2002|Chem.Commun.||424|doi:10.1039/b110193p
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/cc5twkd
title: CCDC 173834: Experimental Crystal Structure Determination

description: Related Article: B.Bibal, B.Tinant, J.-P.Declercq, J.-P.Dutasta|2002|Chem.Commun.||432|doi:10.1039/b110698h
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/cc5wvmh
title: CCDC 175727: Experimental Crystal Structure Determination

description: Related Article: V.V.Ponomarova, V.V.Komarchuk, I.Boldog, A.N.Chernega, J.Sieler, K.V.Domasevitch|2002|Chem.Commun.||436|doi:10.1039/b110599j
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/cc5wvnj
title: CCDC 175728: Experimental Crystal Structure Determination

description: Related Article: V.V.Ponomarova, V.V.Komarchuk, I.Boldog, A.N.Chernega, J.Sieler, K.V.Domasevitch|2002|Chem.Commun.||436|doi:10.1039/b110599j
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/cc5wvpk
title: CCDC 175729: Experimental Crystal Structure Determination

description: Related Article: V.V.Ponomarova, V.V.Komarchuk, I.Boldog, A.N.Chernega, J.Sieler, K.V.Domasevitch|2002|Chem.Commun.||436|doi:10.1039/b110599j
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/cc5wvql
title: CCDC 175730: Experimental Crystal Structure Determination

description: Related Article: V.V.Ponomarova, V.V.Komarchuk, I.Boldog, A.N.Chernega, J.Sieler, K.V.Domasevitch|2002|Chem.Commun.||436|doi:10.1039/b110599j
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/cc5wwmj
title: CCDC 175758: Experimental Crystal Structure Determination

description: Related Article: N.Hoffmann, C.Wismach, P.G.Jones, R.Streubel, Ngoc Hoa Tran Huy, F.Mathey|2002|Chem.Commun.||454|doi:10.1039/b110803b
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/cc5wwnk
title: CCDC 175759: Experimental Crystal Structure Determination

description: Related Article: N.Hoffmann, C.Wismach, P.G.Jones, R.Streubel, Ngoc Hoa Tran Huy, F.Mathey|2002|Chem.Commun.||454|doi:10.1039/b110803b
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/cc5vlk4
title: CCDC 174516: Experimental Crystal Structure Determination

description: Related Article: J.D.Farwell, P.B.Hitchcock, M.F.Lappert|2002|Chem.Commun.||456|doi:10.1039/b110443h
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/cc5twc6
title: CCDC 173828: Experimental Crystal Structure Determination

description: Related Article: N.M.M.Wilson, D.Ellis, A.S.F.Boyd, B.T.Giles, S.A.Macgregor, G.M.Rosair, A.J.Welch|2002|Chem.Commun.||464|doi:10.1039/b110490j
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/cc5vll5
title: CCDC 174517: Experimental Crystal Structure Determination

description: Related Article: J.D.Farwell, P.B.Hitchcock, M.F.Lappert|2002|Chem.Commun.||456|doi:10.1039/b110443h
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/cc5f1g2
title: CCDC 161493: Experimental Crystal Structure Determination

description: Related Article: A.Charette, A.Beauchemin, S.Francoeur, F.Belanger-Gariepy, G.D.Enright|2002|Chem.Commun.||466|doi:10.1039/b110736d
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/cc5twd7
title: CCDC 173829: Experimental Crystal Structure Determination

description: Related Article: N.M.M.Wilson, D.Ellis, A.S.F.Boyd, B.T.Giles, S.A.Macgregor, G.M.Rosair, A.J.Welch|2002|Chem.Commun.||464|doi:10.1039/b110490j
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: 10.4121/dabeda0b-fd48-4ebd-ad0f-3c9fa769c731
title: Data underlying the publication: Graph theory-based exploration of structure and dynamics of surface organometallic catalysis.

description: The research aims to investigate the structural dynamics and configurational diversity of surface organometallic catalysts, focusing on how local strain in amorphous silica supports influences active-site stability and reactivity. It is a <strong>computational and methodological study</strong> that integrates <strong>ab initio molecular dynamics </strong>simulations with <strong>graph theory–based analysis</strong> to explore and characterize the ensemble of active-site configurations in catalytic systems. The <strong>data were collected through r</strong>eactive molecular dynamics trajectories generated using the CP2K software and analyzed via the GaTewAY graph-theory framework to identify unique isomers and their interconversions. The resulting <strong>data are numerical and structural</strong>, comprising molecular trajectories, energy values, and graph representations of atomic connectivity, which collectively describe the dynamic behavior and transformation pathways of supported organometallic catalysts.