cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/cc13wmsd
title: CCDC 1039454: Experimental Crystal Structure Determination

description: Related Article: Xi Guo,  Amanda K. Nelson,  Carla Slebodnick,  and Webster L. Santos|2015|ACS Catalysis|5|2172|doi:10.1021/acscatal.5b00387
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/cc13wmp9
title: CCDC 1039451: Experimental Crystal Structure Determination

description: Related Article: Xi Guo,  Amanda K. Nelson,  Carla Slebodnick,  and Webster L. Santos|2015|ACS Catalysis|5|2172|doi:10.1021/acscatal.5b00387
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/cc13wmrc
title: CCDC 1039453: Experimental Crystal Structure Determination

description: Related Article: Xi Guo,  Amanda K. Nelson,  Carla Slebodnick,  and Webster L. Santos|2015|ACS Catalysis|5|2172|doi:10.1021/acscatal.5b00387
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/cc13wmwh
title: CCDC 1039457: Experimental Crystal Structure Determination

description: Related Article: Xi Guo,  Amanda K. Nelson,  Carla Slebodnick,  and Webster L. Santos|2015|ACS Catalysis|5|2172|doi:10.1021/acscatal.5b00387
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/cc13wmvg
title: CCDC 1039456: Experimental Crystal Structure Determination

description: Related Article: Xi Guo,  Amanda K. Nelson,  Carla Slebodnick,  and Webster L. Santos|2015|ACS Catalysis|5|2172|doi:10.1021/acscatal.5b00387
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/cc1jxq7d
title: CCDC 1427774: Experimental Crystal Structure Determination

description: Related Article: Neel H. Shah,  Glenn L. Butterfoss,  Khanh Nguyen,  Barney Yoo,  Richard Bonneau,  Dallas L. Rabenstein, Kent Kirshenbaum|2008|J.Am.Chem.Soc.|130|16622|doi:10.1021/ja804580n
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/cc1jxq8f
title: CCDC 1427775: Experimental Crystal Structure Determination

description: Related Article: Akihiro Tsurusaki,  Jun Kamiyama,  and Soichiro Kyushin|2014|J.Am.Chem.Soc.|136|12896|doi:10.1021/ja507279z
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/cc1jxrjq
title: CCDC 1427814: Experimental Crystal Structure Determination

description: Related Article: Xi Guo,  Amanda K. Nelson,  Carla Slebodnick,  and Webster L. Santos|2015|ACS Catalysis|5|2172|doi:10.1021/acscatal.5b00387
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/cc1jxq9g
title: CCDC 1427776: Experimental Crystal Structure Determination

description: Related Article: Akihiro Tsurusaki,  Jun Kamiyama,  and Soichiro Kyushin|2014|J.Am.Chem.Soc.|136|12896|doi:10.1021/ja507279z
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/cc1jxqbh
title: CCDC 1427777: Experimental Crystal Structure Determination

description: Related Article: Gopaladasu T. Venkanna,  Hadi D. Arman,  and Zachary J. Tonzetich|2014|ACS Catalysis|4|2941|doi:10.1021/cs500874z
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/cc1jxqcj
title: CCDC 1427778: Experimental Crystal Structure Determination

description: Related Article: Gopaladasu T. Venkanna,  Hadi D. Arman,  and Zachary J. Tonzetich|2014|ACS Catalysis|4|2941|doi:10.1021/cs500874z
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/cc1jxqdk
title: CCDC 1427779: Experimental Crystal Structure Determination

description: Related Article: Gopaladasu T. Venkanna,  Hadi D. Arman,  and Zachary J. Tonzetich|2014|ACS Catalysis|4|2941|doi:10.1021/cs500874z
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/cc1jxqfl
title: CCDC 1427780: Experimental Crystal Structure Determination

description: Related Article: Gopaladasu T. Venkanna,  Hadi D. Arman,  and Zachary J. Tonzetich|2014|ACS Catalysis|4|2941|doi:10.1021/cs500874z
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/cc1jxqgm
title: CCDC 1427781: Experimental Crystal Structure Determination

description: Related Article: Gopaladasu T. Venkanna,  Hadi D. Arman,  and Zachary J. Tonzetich|2014|ACS Catalysis|4|2941|doi:10.1021/cs500874z
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/cc1jxqhn
title: CCDC 1427782: Experimental Crystal Structure Determination

description: Related Article: Gopaladasu T. Venkanna,  Hadi D. Arman,  and Zachary J. Tonzetich|2014|ACS Catalysis|4|2941|doi:10.1021/cs500874z
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/cc1jxqjp
title: CCDC 1427783: Experimental Crystal Structure Determination

description: Related Article: Gopaladasu T. Venkanna,  Hadi D. Arman,  and Zachary J. Tonzetich|2014|ACS Catalysis|4|2941|doi:10.1021/cs500874z
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/cc1jxqkq
title: CCDC 1427784: Experimental Crystal Structure Determination

description: Related Article: Gopaladasu T. Venkanna,  Hadi D. Arman,  and Zachary J. Tonzetich|2014|ACS Catalysis|4|2941|doi:10.1021/cs500874z
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/cc1jxqlr
title: CCDC 1427785: Experimental Crystal Structure Determination

description: Related Article: Ajith R. Mallia, Ramarani Sethy, Vinayak Bhat, Mahesh Hariharan|2016|J.Mater.Chem.C|4|2931|doi:10.1039/C5TC03188E
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/cc1jxqms
title: CCDC 1427786: Experimental Crystal Structure Determination

description: Related Article: Ajith R. Mallia, Ramarani Sethy, Vinayak Bhat, Mahesh Hariharan|2016|J.Mater.Chem.C|4|2931|doi:10.1039/C5TC03188E
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1jxqnt
title: CCDC 1427787: Experimental Crystal Structure Determination

description: Related Article: Pierrik Lassalas, Bryant Gay, Caroline Lasfargeas, Michael J. James, Van Tran, Krishna G. Vijayendran, Kurt R. Brunden, Marisa C. Kozlowski, Craig J. Thomas, Amos B. Smith III, Donna M. Huryn, and Carlo Ballatore|2016|J.Med.Chem.|59|3183|doi:10.1021/acs.jmedchem.5b01963
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1jxqqw
title: CCDC 1427789: Experimental Crystal Structure Determination

description: Related Article: Pierrik Lassalas, Bryant Gay, Caroline Lasfargeas, Michael J. James, Van Tran, Krishna G. Vijayendran, Kurt R. Brunden, Marisa C. Kozlowski, Craig J. Thomas, Amos B. Smith III, Donna M. Huryn, and Carlo Ballatore|2016|J.Med.Chem.|59|3183|doi:10.1021/acs.jmedchem.5b01963
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1jxqrx
title: CCDC 1427790: Experimental Crystal Structure Determination

description: Related Article: Pierrik Lassalas, Bryant Gay, Caroline Lasfargeas, Michael J. James, Van Tran, Krishna G. Vijayendran, Kurt R. Brunden, Marisa C. Kozlowski, Craig J. Thomas, Amos B. Smith III, Donna M. Huryn, and Carlo Ballatore|2016|J.Med.Chem.|59|3183|doi:10.1021/acs.jmedchem.5b01963
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1jxqsy
title: CCDC 1427791: Experimental Crystal Structure Determination

description: Related Article: Pierrik Lassalas, Bryant Gay, Caroline Lasfargeas, Michael J. James, Van Tran, Krishna G. Vijayendran, Kurt R. Brunden, Marisa C. Kozlowski, Craig J. Thomas, Amos B. Smith III, Donna M. Huryn, and Carlo Ballatore|2016|J.Med.Chem.|59|3183|doi:10.1021/acs.jmedchem.5b01963
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/cc1jxqtz
title: CCDC 1427792: Experimental Crystal Structure Determination

description: Related Article: Yi-Ming Shi, Song-Liang Cai, Xiao-Nian Li, Miao Liu, Shan-Zhai Shang, Xue Du, Wei-Lie Xiao, Jian-Xin Pu, Han-Dong Sun|2016|Org.Lett.|18|100|doi:10.1021/acs.orglett.5b03334
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/cc1jxr9h
title: CCDC 1427807: Experimental Crystal Structure Determination

description: Related Article: Korey P. Carter, Mark Kalaj and Christopher L. Cahill|2016|Eur.J.Inorg.Chem.|2016|126|doi:10.1002/ejic.201501118
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.17416835
title: Computatial Data: Through Stronger Hinderance to Higher Reactivity: Influence of the Alkyl Chains on the Activation Energy of Ether Cleavage on Silicon

description: Computational data for the publication:  Through Stronger Hinderance to Higher Reactivity: Influence of the Alkyl Chains on the Activation Energy of Ether Cleavage on Silicon. Contains DFT calculations, specifally geometry optimization of precursor states, final states and transition state optimizations using NEBs and dimer calculations in VASP.

pEDA-NOCV calculations have been carried out using AMS-BAND, rkf files are excluded due to their size.
DOI: 10.5517/cc1jxrbj
title: CCDC 1427808: Experimental Crystal Structure Determination

description: Related Article: Korey P. Carter, Mark Kalaj and Christopher L. Cahill|2016|Eur.J.Inorg.Chem.|2016|126|doi:10.1002/ejic.201501118
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/cc1jxrck
title: CCDC 1427809: Experimental Crystal Structure Determination

description: Related Article: Korey P. Carter, Mark Kalaj and Christopher L. Cahill|2016|Eur.J.Inorg.Chem.|2016|126|doi:10.1002/ejic.201501118
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.17416834
title: Computatial Data: Through Stronger Hinderance to Higher Reactivity: Influence of the Alkyl Chains on the Activation Energy of Ether Cleavage on Silicon

description: Computational data for the publication:  Through Stronger Hinderance to Higher Reactivity: Influence of the Alkyl Chains on the Activation Energy of Ether Cleavage on Silicon. Contains DFT calculations, specifally geometry optimization of precursor states, final states and transition state optimizations using NEBs and dimer calculations in VASP.

pEDA-NOCV calculations have been carried out using AMS-BAND, rkf files are excluded due to their size.
DOI: 10.5517/cc1jxrdl
title: CCDC 1427810: Experimental Crystal Structure Determination

description: Related Article: Korey P. Carter, Mark Kalaj and Christopher L. Cahill|2016|Eur.J.Inorg.Chem.|2016|126|doi:10.1002/ejic.201501118
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/cc1jxrfm
title: CCDC 1427811: Experimental Crystal Structure Determination

description: Related Article: Korey P. Carter, Mark Kalaj and Christopher L. Cahill|2016|Eur.J.Inorg.Chem.|2016|126|doi:10.1002/ejic.201501118
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/cc1jxqw1
title: CCDC 1427794: Experimental Crystal Structure Determination

description: Related Article: Shing-Hing Lau, Samuel L. Bourne, Benjamin Martin, Berthold Schenkel, Gerhard Penn, and Steven V. Ley|2015|Org.Lett.|17|5436|doi:10.1021/acs.orglett.5b02806
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/cc1jxrgn
title: CCDC 1427812: Experimental Crystal Structure Determination

description: Related Article: Korey P. Carter, Mark Kalaj and Christopher L. Cahill|2016|Eur.J.Inorg.Chem.|2016|126|doi:10.1002/ejic.201501118
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1jxqx2
title: CCDC 1427795: Experimental Crystal Structure Determination

description: Related Article: Jun Zhao, Ye-Nan Wang, Wen-Wen Dong, Ya-Pan Wu, Dong-Sheng Li, and Qi-Chun Zhang|2016|Inorg.Chem.|55|3265|doi:10.1021/acs.inorgchem.5b02294
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1jxqy3
title: CCDC 1427796: Experimental Crystal Structure Determination

description: Related Article: Qingxiang Yang, ShuangShuang Ren, Ying Hao, Qianqian Zhao, Zhijun Chen, and Hegen Zheng|2016|Inorg.Chem.|55|4951|doi:10.1021/acs.inorgchem.5b02340
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1jxqz4
title: CCDC 1427797: Experimental Crystal Structure Determination

description: Related Article: Qingxiang Yang, ShuangShuang Ren, Ying Hao, Qianqian Zhao, Zhijun Chen, and Hegen Zheng|2016|Inorg.Chem.|55|4951|doi:10.1021/acs.inorgchem.5b02340
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1jxr06
title: CCDC 1427798: Experimental Crystal Structure Determination

description: Related Article: Qingxiang Yang, ShuangShuang Ren, Ying Hao, Qianqian Zhao, Zhijun Chen, and Hegen Zheng|2016|Inorg.Chem.|55|4951|doi:10.1021/acs.inorgchem.5b02340
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.