cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccsqtkv
title: CCDC 736918: Experimental Crystal Structure Determination

description: Related Article: Pei-Zhou Li, N.Muramatsu, G.Maruta, S.Takeda, Qiang Xu|2011|Inorg.Chem.Commun.|14|411|doi:10.1016/j.inoche.2010.12.014
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccvjydp
title: CCDC 790853: Experimental Crystal Structure Determination

description: Related Article: Yu-Jie Chang, Dong Liu, Zhi-Gang Ren, Jian-Ping Lang|2011|Inorg.Chem.Commun.|14|403|doi:10.1016/j.inoche.2010.12.012
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.2.2.31056.28164
title: EFEKTIVITAS TRANSFORMASI MODEL PROSES BISNIS PADA ENTITAS BISNIS (STUDI KASUS PADA PT INDOFOOD SUKSES MAKMUR TBK)
DOI: 10.5517/ccvkmrr
title: CCDC 791515: Experimental Crystal Structure Determination

description: Related Article: Pengtao Ma, Lijuan Chen, Junwei Zhao, Wei Wang, Jingping Wang, Jingyang Niu|2011|Inorg.Chem.Commun.|14|415|doi:10.1016/j.inoche.2010.12.015
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/ccvmcxq
title: CCDC 793194: Experimental Crystal Structure Determination

description: Related Article: I.A.Efimenko, R.E.Podobedov, O.N.Shishilov, Y.N.Rezinkova, A.V.Churakov, L.G.Kuzmina, I.A.Garbuzova, B.V.Lokshin|2011|Inorg.Chem.Commun.|14|426|doi:10.1016/j.inoche.2010.12.018
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/ccv47qx
title: CCDC 778649: Experimental Crystal Structure Determination

description: Related Article: Cai-Xia Ding, Jia Ni, Chang-Hua He, Fan-Hua Zeng, Wei-Hong Zhu, Yong-Shu Xie|2011|Inorg.Chem.Commun.|14|370|doi:10.1016/j.inoche.2010.12.002
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/ccvqsbn
title: CCDC 796462: Experimental Crystal Structure Determination

description: Related Article: H.-C.Bottcher, M.Graf, K.Sunkel, B.Salert, H.Kruger|2011|Inorg.Chem.Commun.|14|377|doi:10.1016/j.inoche.2010.12.005
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/ccvrdlk
title: CCDC 797059: Experimental Crystal Structure Determination

description: Related Article: Yu-Ling Wang, Na Zhang, Qing-Yan Liu, Xin Yang, Hong Bai, Lin-Yan Duan, Hong-Yu Liu|2011|Inorg.Chem.Commun.|14|380|doi:10.1016/j.inoche.2010.12.006
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/ccsk6cw
title: CCDC 731518: Experimental Crystal Structure Determination

description: Related Article: Rui-Kang Tan, Shu-Xia Liu, Wei Zhang, Shu-Jun Li, Yuan-Yuan Zhang|2011|Inorg.Chem.Commun.|14|384|doi:10.1016/j.inoche.2010.12.007
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/ccvrdml
title: CCDC 797060: Experimental Crystal Structure Determination

description: Related Article: Yu-Ling Wang, Na Zhang, Qing-Yan Liu, Xin Yang, Hong Bai, Lin-Yan Duan, Hong-Yu Liu|2011|Inorg.Chem.Commun.|14|380|doi:10.1016/j.inoche.2010.12.006
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/ccsk6dx
title: CCDC 731519: Experimental Crystal Structure Determination

description: Related Article: Rui-Kang Tan, Shu-Xia Liu, Wei Zhang, Shu-Jun Li, Yuan-Yuan Zhang|2011|Inorg.Chem.Commun.|14|384|doi:10.1016/j.inoche.2010.12.007
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/ccvp68z
title: CCDC 794941: Experimental Crystal Structure Determination

description: Related Article: V.Perez, I.Monsalvo, P.Demare, V.Gomez-Vidales, I.Regla, I.Castillo|2011|Inorg.Chem.Commun.|14|389|doi:10.1016/j.inoche.2010.12.008
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/ccvnq4b
title: CCDC 794472: Experimental Crystal Structure Determination

description: Related Article: P.D.Benny, T.Ganguly, L.Raiford, G.A.Fugate, B.Twamley|2011|Inorg.Chem.Commun.|14|392|doi:10.1016/j.inoche.2010.12.009
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/ccvp690
title: CCDC 794942: Experimental Crystal Structure Determination

description: Related Article: V.Perez, I.Monsalvo, P.Demare, V.Gomez-Vidales, I.Regla, I.Castillo|2011|Inorg.Chem.Commun.|14|389|doi:10.1016/j.inoche.2010.12.008
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/cct6c5j
title: CCDC 750887: Experimental Crystal Structure Determination

description: Related Article: Yan Sui, Rong-Hua Hu, Dong-Sheng Liu, Qing Wu|2011|Inorg.Chem.Commun.|14|396|doi:10.1016/j.inoche.2010.12.010
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/ccvnq5c
title: CCDC 794473: Experimental Crystal Structure Determination

description: Related Article: P.D.Benny, T.Ganguly, L.Raiford, G.A.Fugate, B.Twamley|2011|Inorg.Chem.Commun.|14|392|doi:10.1016/j.inoche.2010.12.009
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/cct6c6k
title: CCDC 750888: Experimental Crystal Structure Determination

description: Related Article: Yan Sui, Rong-Hua Hu, Dong-Sheng Liu, Qing Wu|2011|Inorg.Chem.Commun.|14|396|doi:10.1016/j.inoche.2010.12.010
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/cct6c7l
title: CCDC 750889: Experimental Crystal Structure Determination

description: Related Article: Yan Sui, Rong-Hua Hu, Dong-Sheng Liu, Qing Wu|2011|Inorg.Chem.Commun.|14|396|doi:10.1016/j.inoche.2010.12.010
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/ccxs910
title: CCDC 857492: Experimental Crystal Structure Determination

description: Related Article: J.G.Malecki|2011|CSD Communication|||
description: Related Article: Maciej Serda, Jan G. Małecki, Anna Mrozek-Wilczkiewicz, Robert Musioł, Jarosław Polański|2013|J.Mol.Struct.|1037|63|doi:10.1016/j.molstruc.2012.11.050
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/ccv9d1k
title: CCDC 783588: Experimental Crystal Structure Determination

description: Related Article: J.Campos, A.C.Esqueda, J.Lopez-Serrano, L.Sanchez, F.P.Cossio, A.de Cozar, E.Alvarez, C.Maya, E.Carmona|2010|J.Am.Chem.Soc.|132|16765|doi:10.1021/ja108521b
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/ccv9d2l
title: CCDC 783589: Experimental Crystal Structure Determination

description: Related Article: J.Campos, A.C.Esqueda, J.Lopez-Serrano, L.Sanchez, F.P.Cossio, A.de Cozar, E.Alvarez, C.Maya, E.Carmona|2010|J.Am.Chem.Soc.|132|16765|doi:10.1021/ja108521b
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/ccthkpj
title: CCDC 759738: Experimental Crystal Structure Determination

description: Related Article: Shou-Tian Zheng, Jie Zhang, Xin-Xiong Li, Wei-Hui Fang, Guo-Yu Yang|2010|J.Am.Chem.Soc.|132|15102|doi:10.1021/ja105986b
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/ccy1357
title: CCDC 864998: Experimental Crystal Structure Determination

description: Related Article: Y.Murata, M.Ichinohe, A.Sekiguchi|2010|J.Am.Chem.Soc.|132|16768|doi:10.1021/ja1091744
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: 10.24435/materialscloud:4f-wv
title: Million-Atom Simulation of the Set Process in Phase
Change Memories at the Real Device Scale

description: Phase change materials are exploited in several enabling technologies such as storage class memories, neuromorphic devices and memories embedded in microcontrollers. A key functional property for these applications is the fast crystal nucleation and growth in the supercool liquid phase. Over the last decade, atomistic simulations based on density functional theory (DFT) have provided crucial insights on the early stage of this process. These simulations are, however,restricted to a few hundred atoms for at most a few ns. More recently, the scope of the DFT simulations has been greatly extended by leveraging on machine learning techniques. In our paper, we show that the exploitation of a recently devised neural network potential for the prototypical phase change compound Ge2 Sb2Te5 (GST)  allows simulating the crystallization process in a multimillion atom model at the length and time scales of the real memory device. The simulations provide a vivid atomistic picture of the subtle interplay between crystal  nucleation and crystal growth from the crystal/amorphous rim in a model mimicking the operationof the memory in the Wall geometry. Our simulation showes that at realistic conditions of the set operation of the memory in the Wall architecture the crystallization is dominated by growth at the crystal-amorphous interface. Moreover, the simulations have allowed quantifying the distribution of point defects that controls electronic transport, in a very large crystallite grown at the real conditions of the set process of the device.
DOI: 10.24435/materialscloud:8t-ya
title: Million-Atom Simulation of the Set Process in Phase
Change Memories at the Real Device Scale

description: Phase change materials are exploited in several enabling technologies such as storage class memories, neuromorphic devices and memories embedded in microcontrollers. A key functional property for these applications is the fast crystal nucleation and growth in the supercool liquid phase. Over the last decade, atomistic simulations based on density functional theory (DFT) have provided crucial insights on the early stage of this process. These simulations are, however,restricted to a few hundred atoms for at most a few ns. More recently, the scope of the DFT simulations has been greatly extended by leveraging on machine learning techniques. In our paper, we show that the exploitation of a recently devised neural network potential for the prototypical phase change compound Ge2 Sb2Te5 (GST)  allows simulating the crystallization process in a multimillion atom model at the length and time scales of the real memory device. The simulations provide a vivid atomistic picture of the subtle interplay between crystal  nucleation and crystal growth from the crystal/amorphous rim in a model mimicking the operationof the memory in the Wall geometry. Our simulation showes that at realistic conditions of the set operation of the memory in the Wall architecture the crystallization is dominated by growth at the crystal-amorphous interface. Moreover, the simulations have allowed quantifying the distribution of point defects that controls electronic transport, in a very large crystallite grown at the real conditions of the set process of the device.
DOI: 10.5517/ccty2ng
title: CCDC 772726: Experimental Crystal Structure Determination

description: Related Article: R.Kawahara, K.Fujita, R.Yamaguchi|2010|J.Am.Chem.Soc.|132|15108|doi:10.1021/ja107274w
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/ccy15w0
title: CCDC 865082: Experimental Crystal Structure Determination

description: Related Article: A.N.Campbell, P.B.White, I.A.Guzei, S.S.Stahl|2010|J.Am.Chem.Soc.|132|15116|doi:10.1021/ja105829t
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.2.2.31986.89282
title: LA TRANSFORMADA DE FOURIER Y SU CONVOLUCION
DOI: 10.5517/ccy15x1
title: CCDC 865083: Experimental Crystal Structure Determination

description: Related Article: A.N.Campbell, P.B.White, I.A.Guzei, S.S.Stahl|2010|J.Am.Chem.Soc.|132|15116|doi:10.1021/ja105829t
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/ccy15y2
title: CCDC 865084: Experimental Crystal Structure Determination

description: Related Article: V.M.Iluc, G.L.Hillhouse|2010|J.Am.Chem.Soc.|132|15148|doi:10.1021/ja107115q
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/ccy15z3
title: CCDC 865085: Experimental Crystal Structure Determination

description: Related Article: V.M.Iluc, G.L.Hillhouse|2010|J.Am.Chem.Soc.|132|15148|doi:10.1021/ja107115q
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/ccy1605
title: CCDC 865086: Experimental Crystal Structure Determination

description: Related Article: R.A.Baillie, T.Tran, K.M.Lalonde, J.Y.K.Tsang, M.E.Thibault, B.O.Patrick, P.Legzdins|2012|Organometallics|31|1055|doi:10.1021/om201133r
description: Related Article: R.A.Baillie, T.Tran, M.E.Thibault, P.Legzdins|2010|J.Am.Chem.Soc.|132|15160|doi:10.1021/ja107834g
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/ccy1616
title: CCDC 865087: Experimental Crystal Structure Determination

description: Related Article: R.A.Baillie, T.Tran, K.M.Lalonde, J.Y.K.Tsang, M.E.Thibault, B.O.Patrick, P.Legzdins|2012|Organometallics|31|1055|doi:10.1021/om201133r
description: Related Article: R.A.Baillie, T.Tran, M.E.Thibault, P.Legzdins|2010|J.Am.Chem.Soc.|132|15160|doi:10.1021/ja107834g
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/ccvdtvw
title: CCDC 786899: Experimental Crystal Structure Determination

description: Related Article: M.Kobayashi, T.Matsuo, T.Fukunaga, D.Hashizume, H.Fueno, K.Tanaka, K.Tamao|2010|J.Am.Chem.Soc.|132|15162|doi:10.1021/ja108094m
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/ccy1627
title: CCDC 865088: Experimental Crystal Structure Determination

description: Related Article: R.A.Baillie, T.Tran, K.M.Lalonde, J.Y.K.Tsang, M.E.Thibault, B.O.Patrick, P.Legzdins|2012|Organometallics|31|1055|doi:10.1021/om201133r
description: Related Article: R.A.Baillie, T.Tran, M.E.Thibault, P.Legzdins|2010|J.Am.Chem.Soc.|132|15160|doi:10.1021/ja107834g
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/ccvbgzl
title: CCDC 784640: Experimental Crystal Structure Determination

description: Related Article: Yun-Lin Liu, Bo-Lun Wang, Jun-Jie Cao, Long Chen, Yong-Xue Zhang, Chao Wang, Jian Zhou|2010|J.Am.Chem.Soc.|132|15176|doi:10.1021/ja107858z
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.