cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc21x7lt
title: CCDC 1903976: Experimental Crystal Structure Determination

description: Related Article: Joong Ho Moon, Prakash Manandhar, Hooman Torabi, Md Rumum Rohman, Logesh Mathivathanan, Ka Hung Lee, Stephan Irle|2019|Chem.Commun.|55|5930|doi:10.1039/C9CC02162K
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.cc21x7t1
title: CCDC 1903983: Experimental Crystal Structure Determination

description: Related Article: Tian-Yang Xu, Han Wang, Jia-Ming Li, Ya-Li Zhao, Ya-Hui Han, Xiao-Li Wang, Kun-Huan He, Ai-Rong Wang, Zhong-Feng Shi|2019|Inorg.Chim.Acta|493|72|doi:10.1016/j.ica.2019.05.002
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/ccdc.csd.cc21xl1m
title: CCDC 1904300: Experimental Crystal Structure Determination

description: Related Article: Valeria Castelletto, Ann M. Chippindale, Ian W. Hamley, Sarah Barnett, Abshar Hasan, King Hang Aaron Lau|2019|Chem.Commun.|55|5867|doi:10.1039/C9CC02335F
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.cc21y69j
title: CCDC 1904897: Experimental Crystal Structure Determination

description: Related Article: Kun-Ang Li, Zhuo Wang, Chang-Dong Xie, Tao Chen, Hui Qiang, Yahu A. Liu, Xue-Shun Jia, Wei-Bo Hu, Ke Wen|2019|Org.Biomol.Chem.|17|4975|doi:10.1039/C9OB00665F
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.cc21y6bk
title: CCDC 1904898: Experimental Crystal Structure Determination

description: Related Article: Kun-Ang Li, Zhuo Wang, Chang-Dong Xie, Tao Chen, Hui Qiang, Yahu A. Liu, Xue-Shun Jia, Wei-Bo Hu, Ke Wen|2019|Org.Biomol.Chem.|17|4975|doi:10.1039/C9OB00665F
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.cc1m6btz
title: CCDC 1495651: Experimental Crystal Structure Determination

description: Related Article: Althaf Shaik, Deekshi Angira, Vijay Thiruvenkatam|2019|J.Mol.Struct.|1192|178|doi:10.1016/j.molstruc.2019.04.114
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.cc1md5x3
title: CCDC 1501265: Experimental Crystal Structure Determination

description: Related Article: Anand Gupta, Rajesh Deka, Saravanan Raju, Harkesh B. Singh, Ray J. Butcher|2019|J.Organomet.Chem.|894|10|doi:10.1016/j.jorganchem.2019.05.003
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.cc1md5y4
title: CCDC 1501266: Experimental Crystal Structure Determination

description: Related Article: Anand Gupta, Rajesh Deka, Saravanan Raju, Harkesh B. Singh, Ray J. Butcher|2019|J.Organomet.Chem.|894|10|doi:10.1016/j.jorganchem.2019.05.003
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.cc1md5z5
title: CCDC 1501267: Experimental Crystal Structure Determination

description: Related Article: Anand Gupta, Rajesh Deka, Saravanan Raju, Harkesh B. Singh, Ray J. Butcher|2019|J.Organomet.Chem.|894|10|doi:10.1016/j.jorganchem.2019.05.003
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.cc212fsc
title: CCDC 1879182: Experimental Crystal Structure Determination

description: Related Article: Le Shi, Fu-Xing Shen, Dong Shao, Yi-Quan Zhang, Xin-Yi Wang|2019|CrystEngComm|21|3176|doi:10.1039/C9CE00030E
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.cc212ftd
title: CCDC 1879183: Experimental Crystal Structure Determination

description: Related Article: Le Shi, Fu-Xing Shen, Dong Shao, Yi-Quan Zhang, Xin-Yi Wang|2019|CrystEngComm|21|3176|doi:10.1039/C9CE00030E
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.cc21nrhz
title: CCDC 1896781: Experimental Crystal Structure Determination

description: Related Article: Yongliang Zhang, Liang Liu, Tianyang Chen, Zhe Huang, Wen-Xiong Zhang, Zhenfeng Xi|2019|Organometallics|38|2174|doi:10.1021/acs.organomet.9b00154
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.cc220lj7
title: CCDC 1907198: Experimental Crystal Structure Determination

description: Related Article: A. Yaseen, M.M. Hassan, E. Lee-Ruff, G.F. Audette|2019|Acta Crystallogr.,Sect.E:Cryst.Commun.|75|732|doi:10.1107/S2056989019004432
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.cc220lk8
title: CCDC 1907199: Experimental Crystal Structure Determination

description: Related Article: A. Yaseen, M.M. Hassan, E. Lee-Ruff, G.F. Audette|2019|Acta Crystallogr.,Sect.E:Cryst.Commun.|75|732|doi:10.1107/S2056989019004432
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.cc220ll9
title: CCDC 1907200: Experimental Crystal Structure Determination

description: Related Article: A. Yaseen, M.M. Hassan, E. Lee-Ruff, G.F. Audette|2019|Acta Crystallogr.,Sect.E:Cryst.Commun.|75|732|doi:10.1107/S2056989019004432
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.cc1ldmtf
title: CCDC 1471905: Experimental Crystal Structure Determination

description: Related Article: Althaf Shaik, Deekshi Angira, Vijay Thiruvenkatam|2019|J.Mol.Struct.|1192|178|doi:10.1016/j.molstruc.2019.04.114
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.cc1lldcy
title: CCDC 1477440: Experimental Crystal Structure Determination

description: Related Article: Althaf Shaik, Deekshi Angira, Vijay Thiruvenkatam|2019|J.Mol.Struct.|1192|178|doi:10.1016/j.molstruc.2019.04.114
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.cc1n9mwg
title: CCDC 1528606: Experimental Crystal Structure Determination

description: Related Article: Althaf Shaik, Deekshi Angira, Vijay Thiruvenkatam|2019|J.Mol.Struct.|1192|178|doi:10.1016/j.molstruc.2019.04.114
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.cc20cqvz
title: CCDC 1858321: Experimental Crystal Structure Determination

description: Related Article: Samuel A. Moehring, Joseph W. Ziller, William J. Evans|2019|Polyhedron|168|72|doi:10.1016/j.poly.2019.04.026
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.cc21npxb
title: CCDC 1896732: Experimental Crystal Structure Determination

description: Related Article: Yongliang Zhang, Liang Liu, Tianyang Chen, Zhe Huang, Wen-Xiong Zhang, Zhenfeng Xi|2019|Organometallics|38|2174|doi:10.1021/acs.organomet.9b00154
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.cc21t3yy
title: CCDC 1900980: Experimental Crystal Structure Determination

description: Related Article: Michael S. Crocker, Hayden Foy, Kazuyuki Tokumaru, Travis Dudding, Maren Pink, Jeffrey N. Johnston|2019|Chem Cell mPress|5|1248|doi:10.1016/j.chempr.2019.03.001
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/ccdc.csd.cc21t3zz
title: CCDC 1900981: Experimental Crystal Structure Determination

description: Related Article: Michael S. Crocker, Hayden Foy, Kazuyuki Tokumaru, Travis Dudding, Maren Pink, Jeffrey N. Johnston|2019|Chem Cell mPress|5|1248|doi:10.1016/j.chempr.2019.03.001
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/ccdc.csd.cc21x2xz
title: CCDC 1903831: Experimental Crystal Structure Determination

description: Related Article: Anand Gupta, Rajesh Deka, Saravanan Raju, Harkesh B. Singh, Ray J. Butcher|2019|J.Organomet.Chem.|894|10|doi:10.1016/j.jorganchem.2019.05.003
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.cc2237q5
title: CCDC 1909746: Experimental Crystal Structure Determination

description: Related Article: Kun-Ang Li, Zhuo Wang, Chang-Dong Xie, Tao Chen, Hui Qiang, Yahu A. Liu, Xue-Shun Jia, Wei-Bo Hu, Ke Wen|2019|Org.Biomol.Chem.|17|4975|doi:10.1039/C9OB00665F
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.3956797
title: Simulations of DPPC/DOPC/CHOL 2/1/1 mixture using the model by Carpenter et al., Part 1

description: Simulations of 2/1/1 mixture of DPPC/DOPC/CHOL with the refined Martini model by Carpenter et al. Simulations are performed using time steps ranging from 10 to 40 fs for 15 µs (30 µs for 35 fs time step). Additional 100 ns-long simulations, during which velocities are stored in the trr trajectory are available in XXX. The files are named 332_XX.YYY, where XX is the time step in fs and YYY are GROMACS-compatible file formats: xtc for trajectory, edr for energy outputs, tpr for run input file, and gro for final structure at the end of simulation. The topology (topol.top) and index file (index.ndx) are common for all simulations, and the TOP.tar contains all the force field parameters (itp). The run input parameters (mdp) are provided for each system as mdXXfs.mdp, where XX is the time step.
DOI: 10.17632/bs4bhkrrjw.1
title: Data for: Stratigraphy of early to middle Eocene hyperthermals from Possagno (Southern Alps, Italy) and comparison with global carbon isotope records.

description: wt%CaCO3 and carbon isotope data from the Possagno succession at Carcoselle
DOI: 10.5281/zenodo.3956796
title: Simulations of DPPC/DOPC/CHOL 2/1/1 mixture using the model by Carpenter et al., Part 1

description: Simulations of 2/1/1 mixture of DPPC/DOPC/CHOL with the refined Martini model by Carpenter et al. Simulations are performed using time steps ranging from 10 to 40 fs for 15 µs (30 µs for 35 fs time step). Additional 100 ns-long simulations, during which velocities are stored in the trr trajectory are available in XXX. The files are named 332_XX.YYY, where XX is the time step in fs and YYY are GROMACS-compatible file formats: xtc for trajectory, edr for energy outputs, tpr for run input file, and gro for final structure at the end of simulation. The topology (topol.top) and index file (index.ndx) are common for all simulations, and the TOP.tar contains all the force field parameters (itp). The run input parameters (mdp) are provided for each system as mdXXfs.mdp, where XX is the time step.
DOI: 10.21227/e372-0z89
title: Audio Steganalysis Dataset

description: This is a dataset for audio steganalysis.
DOI: 10.5281/zenodo.2667443
title: Chicago Crime Data 2001 to Present (April 2019)

description: City of Chicago Crime Data from 2001 to April 2019.
DOI: 10.5281/zenodo.2667444
title: Chicago Crime Data 2001 to Present (April 2019)

description: City of Chicago Crime Data from 2001 to April 2019.
DOI: 10.5519/qd.vmda9crv
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (27 records)
DOI: 10.5061/dryad.t7pd371/1
title: otu_table

description: OTU table excluding host sequences, including OTU representative sequences and taxonomy
DOI: 10.5061/dryad.t7pd371/2
title: mapping_files

description: Mapping files for FASTA files, formatted as oligos files for input to Mothur
DOI: 10.5061/dryad.t7pd371/3
title: raw_fastq

description: Raw FASTA files
DOI: 10.25919/5ccd1b88048f4
title: Parkes observations for project P456 semester 2019APRS_03

description: The Parkes Pulsar Timing Array (PPTA) project has three primary goals: (a) detection of gravitational waves from astronomical sources, (b) establishment of a pulsar timescale, and (c) improvement of our understanding of Solar-system dynamics. The PPTA is the oldest of three international pulsar timing groups. We have the smallest telescope and the smallest group, but the best measurements and the best results. Our bound on the strength of the incoherent gravitational wave background is the only bound which significantly constrains theoretical models. We have maintained our leading position because: we have the southern sky; we have a small but well-focussed group; we have the best-calibrated receivers; and we have been able to observe with an almost regular cadence of 15 to 20 days over a wide bandwidth. With this proposal we aim to maintain our pre-eminent position in the field.

Unlike most observing proposals, this is a continuing proposal for which the observations will continue to improve bounds on ultra-low-frequency gravitational waves until they are finally detected. Continued Parkes observations will remain valuable at least until the first stage of the SKA is able to improve on our sensitivity and observing cadence. Even after the gravitational wave background is detected we will want to continue observations in support of the nascent field of gravitational wave astronomy!
DOI: 10.25919/5ccd1b882c780
title: Parkes observations for project P456 semester 2019APRS_04

description: The Parkes Pulsar Timing Array (PPTA) project has three primary goals: (a) detection of gravitational waves from astronomical sources, (b) establishment of a pulsar timescale, and (c) improvement of our understanding of Solar-system dynamics. The PPTA is the oldest of three international pulsar timing groups. We have the smallest telescope and the smallest group, but the best measurements and the best results. Our bound on the strength of the incoherent gravitational wave background is the only bound which significantly constrains theoretical models. We have maintained our leading position because: we have the southern sky; we have a small but well-focussed group; we have the best-calibrated receivers; and we have been able to observe with an almost regular cadence of 15 to 20 days over a wide bandwidth. With this proposal we aim to maintain our pre-eminent position in the field.

Unlike most observing proposals, this is a continuing proposal for which the observations will continue to improve bounds on ultra-low-frequency gravitational waves until they are finally detected. Continued Parkes observations will remain valuable at least until the first stage of the SKA is able to improve on our sensitivity and observing cadence. Even after the gravitational wave background is detected we will want to continue observations in support of the nascent field of gravitational wave astronomy!
DOI: 10.14469/hpc/5600
title: 1,3 shift with N-Me, 2H2O + HCl + acetyl TS G=-1049.146600 ΔG=26.2 IRC

description: Gaussian Calculation
DOI: 10.25919/5ccd1c55665c3
title: Parkes observations for project P456 semester 2019APRS_05

description: The Parkes Pulsar Timing Array (PPTA) project has three primary goals: (a) detection of gravitational waves from astronomical sources, (b) establishment of a pulsar timescale, and (c) improvement of our understanding of Solar-system dynamics. The PPTA is the oldest of three international pulsar timing groups. We have the smallest telescope and the smallest group, but the best measurements and the best results. Our bound on the strength of the incoherent gravitational wave background is the only bound which significantly constrains theoretical models. We have maintained our leading position because: we have the southern sky; we have a small but well-focussed group; we have the best-calibrated receivers; and we have been able to observe with an almost regular cadence of 15 to 20 days over a wide bandwidth. With this proposal we aim to maintain our pre-eminent position in the field.

Unlike most observing proposals, this is a continuing proposal for which the observations will continue to improve bounds on ultra-low-frequency gravitational waves until they are finally detected. Continued Parkes observations will remain valuable at least until the first stage of the SKA is able to improve on our sensitivity and observing cadence. Even after the gravitational wave background is detected we will want to continue observations in support of the nascent field of gravitational wave astronomy!