cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccsg62h
title: CCDC 728626: Experimental Crystal Structure Determination

description: Related Article: E.M.S.Perez, M.Avalos, R.Babiano, P.Cintas, M.E.Light, J.L.Jimenez, J.C.Palacios, A.Sancho|2010|Carbohydr.Res.|345|23|doi:10.1016/j.carres.2009.08.032
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: 10.13140/rg.2.2.13267.25127
title: The "open project"
DOI: 10.5517/ccs9gk2
title: CCDC 724084: Experimental Crystal Structure Determination

description: Related Article: Qun Zeng Huang, Zhao Hui Meng, Yu Quan Feng, Heng Zhen Shi|2010|Carbohydr.Res.|345|115|doi:10.1016/j.carres.2009.09.027
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/cct1z1v
title: CCDC 746667: Experimental Crystal Structure Determination

description: Related Article: D.Cruickshank, N.M.Rougier, R.V.Vico, R.H.de Rossi, E.I.Bujan, S.A.Bourne, M.R.Caira|2010|Carbohydr.Res.|345|141|doi:10.1016/j.carres.2009.10.023
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/ccrv1xj
title: CCDC 710238: Experimental Crystal Structure Determination

description: Related Article: P.D.Bonnitcha, S.R.Bayly, M.B.M.Theobald, H.M.Betts, J.S.Lewis, J.R.Dilworth|2010|J.Inorg.Biochem.|104|126|doi:10.1016/j.jinorgbio.2009.10.009
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/cct1z2w
title: CCDC 746668: Experimental Crystal Structure Determination

description: Related Article: D.Cruickshank, N.M.Rougier, R.V.Vico, R.H.de Rossi, E.I.Bujan, S.A.Bourne, M.R.Caira|2010|Carbohydr.Res.|345|141|doi:10.1016/j.carres.2009.10.023
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: 10.13140/rg.2.2.10278.80965
title: Coronavirus bulletin - 22-10-14
DOI: 10.13140/rg.2.2.10698.24006
title: WARSHADA MARMARKA IYO JAAJURKA
DOI: 10.13140/rg.2.2.29572.60807
title: BILICSAN TERRAZO/TILES FACTORY BUSINESS PLAN ADRESS: JIGJIGA City -KEBELE 07
DOI: 10.15468/grhbhy
title: Données naturalistes opportunistes issues de la plateforme INaturalist-Données naturalistes opportunistes Fred Derks (fredderks)

description: Données naturalistes opportunistes saisies sur iNaturalist à partir du compte "fredderks"
DOI: 10.5517/ccscjpb
title: CCDC 726072: Experimental Crystal Structure Determination

description: Related Article: A.Puszko, A.Krojcer, M.Pelczynska, J.Wietrzyk, M.Cieslak-Golonka, J.Jezierska, A.Adach, M.Kubiak|2010|J.Inorg.Biochem.|104|153|doi:10.1016/j.jinorgbio.2009.10.016
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/ccsdryv
title: CCDC 727258: Experimental Crystal Structure Determination

description: Related Article: A.Puszko, A.Krojcer, M.Pelczynska, J.Wietrzyk, M.Cieslak-Golonka, J.Jezierska, A.Adach, M.Kubiak|2010|J.Inorg.Biochem.|104|153|doi:10.1016/j.jinorgbio.2009.10.016
description: Related Article: A.Puszko, A.Brzuszkiewicz, J.Jezierska, A.Adach, J.Wietrzyk, B.Filip, M.Pelczynska, M.Cieslak-Golonka|2011|J.Inorg.Biochem.|105|1109|doi:10.1016/j.jinorgbio.2011.05.001
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/ccr38fj
title: CCDC 688337: Experimental Crystal Structure Determination

description: Related Article: Dong-Dong Li, Jin-Lei Tian, Wen Gu, Xin Liu, Shi-Ping Yan|2010|J.Inorg.Biochem.|104|171|doi:10.1016/j.jinorgbio.2009.10.020
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/ccssgww
title: CCDC 738509: Experimental Crystal Structure Determination

description: Related Article: K.C.Skyrianou, F.Perdih, I.Turel, D.P.Kessissoglou, G.Psomas|2010|J.Inorg.Biochem.|104|161|doi:10.1016/j.jinorgbio.2009.10.017
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: 10.13140/rg.2.2.19611.13608
title: 2022 Philippines Board Examinations: List of Courses, Number of Board Examinees, and Number of Board Passers
DOI: 10.5517/cct28jn
title: CCDC 746961: Experimental Crystal Structure Determination

description: Related Article: M.Belicchi-Ferrari, F.Bisceglie, A.Buschini, S.Franzoni, G.Pelosi, S.Pinelli, P.Tarasconi, M.Tavone|2010|J.Inorg.Biochem.|104|199|doi:10.1016/j.jinorgbio.2009.11.002
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/cct28kp
title: CCDC 746962: Experimental Crystal Structure Determination

description: Related Article: M.Belicchi-Ferrari, F.Bisceglie, A.Buschini, S.Franzoni, G.Pelosi, S.Pinelli, P.Tarasconi, M.Tavone|2010|J.Inorg.Biochem.|104|199|doi:10.1016/j.jinorgbio.2009.11.002
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: 10.13140/rg.2.2.35208.70407
title: Creativity and education system. Certificate 72200000046
DOI: 10.5517/ccsqlln
title: CCDC 736702: Experimental Crystal Structure Determination

description: Related Article: F.Marchetti, G.Pampaloni, S.Zacchini|2010|J.Fluorine Chem.|131|21|doi:10.1016/j.jfluchem.2009.09.014
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: 10.13140/rg.2.2.19689.77928
title: Questionnaire on Public Transport and Private Transport - Community Service Project Survey
DOI: 10.5517/ccs3499
title: CCDC 718000: Experimental Crystal Structure Determination

description: Related Article: V.T.Kasumov, I.Ucar, A.Bulut|2010|J.Fluorine Chem.|131|59|doi:10.1016/j.jfluchem.2009.10.005
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/ccsm9g4
title: CCDC 733536: Experimental Crystal Structure Determination

description: Related Article: N.M.Troshkova, L.I.Goryunov, Yu.V.Gatilov, G.A.Nevinsky, V.D.Shteingarts|2010|J.Fluorine Chem.|131|70|doi:10.1016/j.jfluchem.2009.10.007
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/ccsm9h5
title: CCDC 733537: Experimental Crystal Structure Determination

description: Related Article: N.M.Troshkova, L.I.Goryunov, Yu.V.Gatilov, G.A.Nevinsky, V.D.Shteingarts|2010|J.Fluorine Chem.|131|70|doi:10.1016/j.jfluchem.2009.10.007
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/ccstqkv
title: CCDC 739708: Experimental Crystal Structure Determination

description: Related Article: V.P.Boyarskiy, M.S.Fonari, T.S.Khaybulova, M.Gdaniec, Yu.A.Simonov|2010|J.Fluorine Chem.|131|81|doi:10.1016/j.jfluchem.2009.10.010
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: 10.13140/rg.2.2.31905.68969
title: Mr. MASRUR HASSAN KHAN AN EMINENT CSP OFFICER NOW FORGOTTEN
DOI: 10.5517/ccsg0dm
title: CCDC 728450: Experimental Crystal Structure Determination

description: Related Article: I.Halasz, R.E.Dinnebier|2010|J.Pharm.Sci.|99|871|doi:10.1002/jps.21883
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/ccstqlw
title: CCDC 739709: Experimental Crystal Structure Determination

description: Related Article: V.P.Boyarskiy, M.S.Fonari, T.S.Khaybulova, M.Gdaniec, Yu.A.Simonov|2010|J.Fluorine Chem.|131|81|doi:10.1016/j.jfluchem.2009.10.010
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/ccsg0fn
title: CCDC 728451: Experimental Crystal Structure Determination

description: Related Article: I.Halasz, R.E.Dinnebier|2010|J.Pharm.Sci.|99|871|doi:10.1002/jps.21883
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/ccsg0gp
title: CCDC 728452: Experimental Crystal Structure Determination

description: Related Article: I.Halasz, R.E.Dinnebier|2010|J.Pharm.Sci.|99|871|doi:10.1002/jps.21883
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/ccsycxz
title: CCDC 743222: Experimental Crystal Structure Determination

description: Related Article: M.M.Belmonte, E.C.Escudero-Adan, J.Benet-Buchholz, A.W.Kleij|2009|Eur.J.Inorg.Chem.|2009|5307|doi:10.1002/ejic.200900862
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: 10.13140/rg.2.2.32220.26243
title: Certificate of my online Participation in the Webinar Teacher’s Day and Birthday of Dr. S. Radhakrishnan ‘Walking and Meditating with the Philosophy of S. Radhakrishnan’, organised by the Vishwaneedam Center for Asian Blossoming on 5th September 2022 from 9:00 PM to 10:00 PM IST
DOI: 10.5517/ccsycy0
title: CCDC 743223: Experimental Crystal Structure Determination

description: Related Article: M.M.Belmonte, E.C.Escudero-Adan, J.Benet-Buchholz, A.W.Kleij|2009|Eur.J.Inorg.Chem.|2009|5307|doi:10.1002/ejic.200900862
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/ccsycz1
title: CCDC 743224: Experimental Crystal Structure Determination

description: Related Article: M.M.Belmonte, E.C.Escudero-Adan, J.Benet-Buchholz, A.W.Kleij|2009|Eur.J.Inorg.Chem.|2009|5307|doi:10.1002/ejic.200900862
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/ccsyd03
title: CCDC 743225: Experimental Crystal Structure Determination

description: Related Article: M.M.Belmonte, E.C.Escudero-Adan, J.Benet-Buchholz, A.W.Kleij|2009|Eur.J.Inorg.Chem.|2009|5307|doi:10.1002/ejic.200900862
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/ccsyd14
title: CCDC 743226: Experimental Crystal Structure Determination

description: Related Article: M.M.Belmonte, E.C.Escudero-Adan, J.Benet-Buchholz, A.W.Kleij|2009|Eur.J.Inorg.Chem.|2009|5307|doi:10.1002/ejic.200900862
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/ccsyd25
title: CCDC 743227: Experimental Crystal Structure Determination

description: Related Article: M.M.Belmonte, E.C.Escudero-Adan, J.Benet-Buchholz, A.W.Kleij|2009|Eur.J.Inorg.Chem.|2009|5307|doi:10.1002/ejic.200900862
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/ccsyd36
title: CCDC 743228: Experimental Crystal Structure Determination

description: Related Article: M.M.Belmonte, E.C.Escudero-Adan, J.Benet-Buchholz, A.W.Kleij|2009|Eur.J.Inorg.Chem.|2009|5307|doi:10.1002/ejic.200900862
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/ccsyd47
title: CCDC 743229: Experimental Crystal Structure Determination

description: Related Article: M.M.Belmonte, E.C.Escudero-Adan, J.Benet-Buchholz, A.W.Kleij|2009|Eur.J.Inorg.Chem.|2009|5307|doi:10.1002/ejic.200900862
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/ccsf9r7
title: CCDC 727779: Experimental Crystal Structure Determination

description: Related Article: Wentong Chen, S.Fukuzumi|2009|Eur.J.Inorg.Chem.|2009|5494|doi:10.1002/ejic.200900801
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: 10.13139/olcf/2998298
title: HfZr_BCC_SolidSolution_128atoms_VASP6

description: We performed density functional theory (DFT) calculations for body-centered-cubic (BCC) structures with 128 lattices sites of solid solution binary alloys hafnium-zirconium (Hf-Zr). The electronic structures of alloys have been calculated using Vienna Ab initio Simulation Package (VASP). Within this package the DFT approach is used to reduce many-body Schrodinger equation to set of single particle Kohn-Sham (KS) equations. The generalized electronic exchange-correlation functional is described by generalized gradient approximation with the Perdew-Burke-Ernzerhof parametrization. The electron-ion interactions is described by pseudopotentials developed within the plane-wave basis projector augmented-wave (PAW) approach. These pseudopotentials are available at the VASP portal (http://cms.mpi.univie.ac.at/vasp/). Our calculations have been run with the pseudopotentials treating s and p semi-core states as valence in case for the elements Hf and Zr. The electronic densities and potentials are expanded over plane-waves with energy cutoff of 350 eV. 2x2x2 k-mesh and normal precision were used. The alloys were modeled by supercell containing 128 randomly distributed atoms. At initial step the atoms occupy perfect bcc lattice cites. This initial structure was optimized until energy changes less than 1e-6 eV, while forces acting on atoms don't exceed 1e-2 eV/angstrom. The electron-ion interaction is described by PAW pseudopotentials. The calculations have been collected by sampling chemical compositions across the entire compositional range. The chemical compositions have been sampled by progressively changing the number of atoms per constituent by 4. For each chemical composition of binaries and ternaries, the first-principle calculations have been run for 100 randomized arrangements of the constituents on the BCC lattice sites. We collected data for a total of 3,100 randomized atomic structures over 31 chemical compositions.
DOI: 10.5517/ccsf9s8
title: CCDC 727780: Experimental Crystal Structure Determination

description: Related Article: Wentong Chen, S.Fukuzumi|2009|Eur.J.Inorg.Chem.|2009|5494|doi:10.1002/ejic.200900801
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/ccsf9t9
title: CCDC 727781: Experimental Crystal Structure Determination

description: Related Article: Wentong Chen, S.Fukuzumi|2009|Eur.J.Inorg.Chem.|2009|5494|doi:10.1002/ejic.200900801
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/ccsf9vb
title: CCDC 727782: Experimental Crystal Structure Determination

description: Related Article: Wentong Chen, S.Fukuzumi|2009|Eur.J.Inorg.Chem.|2009|5494|doi:10.1002/ejic.200900801
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/ccsf9wc
title: CCDC 727783: Experimental Crystal Structure Determination

description: Related Article: Wentong Chen, S.Fukuzumi|2009|Eur.J.Inorg.Chem.|2009|5494|doi:10.1002/ejic.200900801
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.