cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.1000767.v1
title: R1aj.gz

description: Part of Meadow_etal_Phones fileset. Zipped sequence file fragment. See README.md for instructions.
DOI: 10.6084/m9.figshare.1000761
title: R1ae.gz

description: Part of Meadow_etal_Phones fileset. Zipped sequence file fragment. See README.md for instructions.
DOI: 10.6084/m9.figshare.1000762
title: R1aa.gz

description: Part of Meadow_etal_Phones fileset. Zipped sequence file fragment. See README.md for instructions.
DOI: 10.6084/m9.figshare.1000763
title: R1ag.gz

description: Part of Meadow_etal_Phones fileset. Zipped sequence file fragment. See README.md for instructions.
DOI: 10.6084/m9.figshare.1000768.v1
title: R1ak.gz

description: Part of Meadow_etal_Phones fileset. Zipped sequence file fragment. See README.md for instructions.
DOI: 10.6084/m9.figshare.1000760
title: R1ad.gz

description: Part of Meadow_etal_Phones fileset. Zipped sequence file fragment. See README.md for instructions.
DOI: 10.6084/m9.figshare.1000761.v1
title: R1ae.gz

description: Part of Meadow_etal_Phones fileset. Zipped sequence file fragment. See README.md for instructions.
DOI: 10.6084/m9.figshare.1000762.v1
title: R1aa.gz

description: Part of Meadow_etal_Phones fileset. Zipped sequence file fragment. See README.md for instructions.
DOI: 10.6084/m9.figshare.1000763.v1
title: R1ag.gz

description: Part of Meadow_etal_Phones fileset. Zipped sequence file fragment. See README.md for instructions.
DOI: 10.6084/m9.figshare.1000764.v1
title: R1ah.gz

description: Part of Meadow_etal_Phones fileset. Zipped sequence file fragment. See README.md for instructions.
DOI: 10.6084/m9.figshare.1000758
title: phoneMetadata.txt

description: Part of Meadow_etal_Phones fileset. Barcodes and metadata for each sample. See README.md for instructions.
DOI: 10.6084/m9.figshare.1000759
title: R1ab.gz

description: Part of Meadow_etal_Phones fileset. Zipped sequence file fragment. See README.md for instructions.
DOI: 10.6084/m9.figshare.1000760.v1
title: R1ad.gz

description: Part of Meadow_etal_Phones fileset. Zipped sequence file fragment. See README.md for instructions.
DOI: 10.6084/m9.figshare.1000758.v1
title: phoneMetadata.txt

description: Part of Meadow_etal_Phones fileset. Barcodes and metadata for each sample. See README.md for instructions.
DOI: 10.6084/m9.figshare.1000759.v1
title: R1ab.gz

description: Part of Meadow_etal_Phones fileset. Zipped sequence file fragment. See README.md for instructions.
DOI: 10.6084/m9.figshare.1000698
title: 1-Methyl-1-Nitroso Urea Transition State with Hydroxide Anion

description: Transition State of the reaction between 1-methyl-1-nitrosourea and hydroxide anion using, wB97X-D/6-311+G(d,p)/C-PCM=H2O<br>GAMESS VERSION = 1 MAY 2012 (R2) FROM IOWA STATE UNIVERSITY<br>M.W.SCHMIDT, K.K.BALDRIDGE, J.A.BOATZ, .T.ELBERT, M.S.GORDON, J.H.JENSEN, S.KOSEKI, N.MATSUNAGA, K.A.NGUYEN, S.J.SU, T.L.WINDUS, TOGETHER WITH M.DUPUIS, J.A.MONTGOMERY<br>J.COMPUT.CHEM. 14, 1347-1363(1993)
DOI: 10.6084/m9.figshare.1000702
title: 042014-0010WReview

description: Figures and Tables for CourseSource article 042014-0010WReview.
DOI: 10.6084/m9.figshare.1000716
title: model-organisms.txt

description: Current list of filtered 'model' organisms from the phyloboost pipeline. This is a simple list of NCBI taxid values for easy parsing in other tools.
DOI: 10.6084/m9.figshare.1000693
title: Gaussian Job Archive for C6H5(1-)

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.1000698.v1
title: 1-Methyl-1-Nitroso Urea Transition State with Hydroxide Anion

description: Transition State of the reaction between 1-methyl-1-nitrosourea and hydroxide anion using, wB97X-D/6-311+G(d,p)/C-PCM=H2O<br>GAMESS VERSION = 1 MAY 2012 (R2) FROM IOWA STATE UNIVERSITY<br>M.W.SCHMIDT, K.K.BALDRIDGE, J.A.BOATZ, .T.ELBERT, M.S.GORDON, J.H.JENSEN, S.KOSEKI, N.MATSUNAGA, K.A.NGUYEN, S.J.SU, T.L.WINDUS, TOGETHER WITH M.DUPUIS, J.A.MONTGOMERY<br>J.COMPUT.CHEM. 14, 1347-1363(1993)
DOI: 10.6084/m9.figshare.1000716.v1
title: model-organisms.txt

description: Current list of filtered 'model' organisms from the phyloboost pipeline. This is a simple list of NCBI taxid values for easy parsing in other tools.
DOI: 10.6084/m9.figshare.1000693.v1
title: Gaussian Job Archive for C6H5(1-)

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.1000702.v2
title: 042014-0010WReview

description: Figures and Tables for CourseSource article 042014-0010WReview.
DOI: 10.6084/m9.figshare.1000683
title: Hydration structure of Na<sup>+</sup> and K<sup>+</sup> from <i>ab initio</i> molecular dynamics based on modern density functional theory

description: Molecular dynamics (Born–Oppenheimer) simulations based on density functional theory have been carried out to investigate the solvation structure of monovalent Na<sup>+</sup> and K<sup>+</sup> cations in water under ambient conditions. Four recently proposed van der Waals (vdW) density functionals (LMKLL, DRSLL, DRSLL-PBE, DRSLL-optB88), the semiempirical vdW method of Grimme (BLYP-D3) and conventional gradient-corrected (GGA-BLYP) density functionals are applied in order to evaluate their accuracy in describing the hydration structure of alkali metal ions. Theoretical results are compared to available experimental data. Our results indicate that addition of corrections accounting for dispersion forces significantly improves the agreement between predicted and measured coordination numbers for both Na<sup>+</sup> and K<sup>+</sup> cations. Analysis of radial distribution functions brings further support to the notion that the choice of the generalised gradient approximation density functional impacts crucially on the computed structural properties. DRSLL-optB88 and BLYP-D3 provide the best agreement with experiment.
DOI: 10.6084/m9.figshare.1000688
title: Gaussian Job Archive for C6H6(5)

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.1000702.v1
title: 042014-0010WReview

description: Figures and Tables for CourseSource article 042014-0010WReview.
DOI: 10.6084/m9.figshare.1000688.v1
title: Gaussian Job Archive for C6H6(5)

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.1000677
title: Data from "Habitat and forage associations of a naturally colonising insect pollinator, the Tree Bumblebee Bombus hypnorum"

description: Dataset used in our paper on the landscape ecology and forage preferences of Bombus hypnorum, in lowland southern UK
DOI: 10.6084/m9.figshare.1000677.v1
title: Data from "Habitat and forage associations of a naturally colonising insect pollinator, the Tree Bumblebee Bombus hypnorum"

description: Dataset used in our paper on the landscape ecology and forage preferences of Bombus hypnorum, in lowland southern UK
DOI: 10.6084/m9.figshare.1000683.v1
title: Hydration structure of Na<sup>+</sup> and K<sup>+</sup> from <i>ab initio</i> molecular dynamics based on modern density functional theory

description: Molecular dynamics (Born–Oppenheimer) simulations based on density functional theory have been carried out to investigate the solvation structure of monovalent Na<sup>+</sup> and K<sup>+</sup> cations in water under ambient conditions. Four recently proposed van der Waals (vdW) density functionals (LMKLL, DRSLL, DRSLL-PBE, DRSLL-optB88), the semiempirical vdW method of Grimme (BLYP-D3) and conventional gradient-corrected (GGA-BLYP) density functionals are applied in order to evaluate their accuracy in describing the hydration structure of alkali metal ions. Theoretical results are compared to available experimental data. Our results indicate that addition of corrections accounting for dispersion forces significantly improves the agreement between predicted and measured coordination numbers for both Na<sup>+</sup> and K<sup>+</sup> cations. Analysis of radial distribution functions brings further support to the notion that the choice of the generalised gradient approximation density functional impacts crucially on the computed structural properties. DRSLL-optB88 and BLYP-D3 provide the best agreement with experiment.
DOI: 10.6084/m9.figshare.1000674
title: Supplemenatry Material_Chlis et al_MBEC2014

description: Supplementary material for "Searching for Significant Genes in Cancer Metastasis by Tissue Comparisons"
DOI: 10.6084/m9.figshare.1000674.v1
title: Supplemenatry Material_Chlis et al_MBEC2014

description: Supplementary material for "Searching for Significant Genes in Cancer Metastasis by Tissue Comparisons"
DOI: 10.6084/m9.figshare.1000683.v2
title: Hydration structure of Na<sup>+</sup> and K<sup>+</sup> from <i>ab initio</i> molecular dynamics based on modern density functional theory

description: Molecular dynamics (Born–Oppenheimer) simulations based on density functional theory have been carried out to investigate the solvation structure of monovalent Na<sup>+</sup> and K<sup>+</sup> cations in water under ambient conditions. Four recently proposed van der Waals (vdW) density functionals (LMKLL, DRSLL, DRSLL-PBE, DRSLL-optB88), the semiempirical vdW method of Grimme (BLYP-D3) and conventional gradient-corrected (GGA-BLYP) density functionals are applied in order to evaluate their accuracy in describing the hydration structure of alkali metal ions. Theoretical results are compared to available experimental data. Our results indicate that addition of corrections accounting for dispersion forces significantly improves the agreement between predicted and measured coordination numbers for both Na<sup>+</sup> and K<sup>+</sup> cations. Analysis of radial distribution functions brings further support to the notion that the choice of the generalised gradient approximation density functional impacts crucially on the computed structural properties. DRSLL-optB88 and BLYP-D3 provide the best agreement with experiment.
DOI: 10.6084/m9.figshare.1000683.v3
title: Hydration structure of Na<sup>+</sup> and K<sup>+</sup> from <i>ab initio</i> molecular dynamics based on modern density functional theory

description: Molecular dynamics (Born–Oppenheimer) simulations based on density functional theory have been carried out to investigate the solvation structure of monovalent Na<sup>+</sup> and K<sup>+</sup> cations in water under ambient conditions. Four recently proposed van der Waals (vdW) density functionals (LMKLL, DRSLL, DRSLL-PBE, DRSLL-optB88), the semiempirical vdW method of Grimme (BLYP-D3) and conventional gradient-corrected (GGA-BLYP) density functionals are applied in order to evaluate their accuracy in describing the hydration structure of alkali metal ions. Theoretical results are compared to available experimental data. Our results indicate that addition of corrections accounting for dispersion forces significantly improves the agreement between predicted and measured coordination numbers for both Na<sup>+</sup> and K<sup>+</sup> cations. Analysis of radial distribution functions brings further support to the notion that the choice of the generalised gradient approximation density functional impacts crucially on the computed structural properties. DRSLL-optB88 and BLYP-D3 provide the best agreement with experiment.
DOI: 10.6084/m9.figshare.1000683.v4
title: Hydration structure of Na<sup>+</sup> and K<sup>+</sup> from <i>ab initio</i> molecular dynamics based on modern density functional theory

description: Molecular dynamics (Born–Oppenheimer) simulations based on density functional theory have been carried out to investigate the solvation structure of monovalent Na<sup>+</sup> and K<sup>+</sup> cations in water under ambient conditions. Four recently proposed van der Waals (vdW) density functionals (LMKLL, DRSLL, DRSLL-PBE, DRSLL-optB88), the semiempirical vdW method of Grimme (BLYP-D3) and conventional gradient-corrected (GGA-BLYP) density functionals are applied in order to evaluate their accuracy in describing the hydration structure of alkali metal ions. Theoretical results are compared to available experimental data. Our results indicate that addition of corrections accounting for dispersion forces significantly improves the agreement between predicted and measured coordination numbers for both Na<sup>+</sup> and K<sup>+</sup> cations. Analysis of radial distribution functions brings further support to the notion that the choice of the generalised gradient approximation density functional impacts crucially on the computed structural properties. DRSLL-optB88 and BLYP-D3 provide the best agreement with experiment.
DOI: 10.6084/m9.figshare.1000641
title: Gender Classification - Dataset

description: Gender Classification dataset
DOI: 10.6084/m9.figshare.1000639
title: MaleTok

description: Tokens
DOI: 10.6084/m9.figshare.1000640
title: MaleTok

description: Tokens
DOI: 10.6084/m9.figshare.1000683.v5
title: Hydration structure of Na<sup>+</sup> and K<sup>+</sup> from <i>ab initio</i> molecular dynamics based on modern density functional theory

description: Molecular dynamics (Born–Oppenheimer) simulations based on density functional theory have been carried out to investigate the solvation structure of monovalent Na<sup>+</sup> and K<sup>+</sup> cations in water under ambient conditions. Four recently proposed van der Waals (vdW) density functionals (LMKLL, DRSLL, DRSLL-PBE, DRSLL-optB88), the semiempirical vdW method of Grimme (BLYP-D3) and conventional gradient-corrected (GGA-BLYP) density functionals are applied in order to evaluate their accuracy in describing the hydration structure of alkali metal ions. Theoretical results are compared to available experimental data. Our results indicate that addition of corrections accounting for dispersion forces significantly improves the agreement between predicted and measured coordination numbers for both Na<sup>+</sup> and K<sup>+</sup> cations. Analysis of radial distribution functions brings further support to the notion that the choice of the generalised gradient approximation density functional impacts crucially on the computed structural properties. DRSLL-optB88 and BLYP-D3 provide the best agreement with experiment.
DOI: 10.6084/m9.figshare.1000638
title: MaleTok

description: Tokens
DOI: 10.6084/m9.figshare.1000640.v1
title: MaleTok

description: Tokens
DOI: 10.6084/m9.figshare.1000636
title: MaleTok

description: Tokens
DOI: 10.6084/m9.figshare.1000637
title: MaleTok

description: Tokens
DOI: 10.6084/m9.figshare.1000638.v1
title: MaleTok

description: Tokens
DOI: 10.6084/m9.figshare.1000639.v1
title: MaleTok

description: Tokens
DOI: 10.6084/m9.figshare.1000635
title: FemaleTok

description: Tokens
DOI: 10.6084/m9.figshare.1000637.v1
title: MaleTok

description: Tokens
DOI: 10.6084/m9.figshare.1000683.v6
title: Hydration structure of Na<sup>+</sup> and K<sup>+</sup> from <i>ab initio</i> molecular dynamics based on modern density functional theory

description: Molecular dynamics (Born–Oppenheimer) simulations based on density functional theory have been carried out to investigate the solvation structure of monovalent Na<sup>+</sup> and K<sup>+</sup> cations in water under ambient conditions. Four recently proposed van der Waals (vdW) density functionals (LMKLL, DRSLL, DRSLL-PBE, DRSLL-optB88), the semiempirical vdW method of Grimme (BLYP-D3) and conventional gradient-corrected (GGA-BLYP) density functionals are applied in order to evaluate their accuracy in describing the hydration structure of alkali metal ions. Theoretical results are compared to available experimental data. Our results indicate that addition of corrections accounting for dispersion forces significantly improves the agreement between predicted and measured coordination numbers for both Na<sup>+</sup> and K<sup>+</sup> cations. Analysis of radial distribution functions brings further support to the notion that the choice of the generalised gradient approximation density functional impacts crucially on the computed structural properties. DRSLL-optB88 and BLYP-D3 provide the best agreement with experiment.
DOI: 10.6084/m9.figshare.1000634
title: Gaussian Job Archive for C7H7F3O3S

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.1000635.v1
title: FemaleTok

description: Tokens
DOI: 10.6084/m9.figshare.1000683.v8
title: Hydration structure of Na<sup>+</sup> and K<sup>+</sup> from <i>ab initio</i> molecular dynamics based on modern density functional theory

description: Molecular dynamics (Born–Oppenheimer) simulations based on density functional theory have been carried out to investigate the solvation structure of monovalent Na<sup>+</sup> and K<sup>+</sup> cations in water under ambient conditions. Four recently proposed van der Waals (vdW) density functionals (LMKLL, DRSLL, DRSLL-PBE, DRSLL-optB88), the semiempirical vdW method of Grimme (BLYP-D3) and conventional gradient-corrected (GGA-BLYP) density functionals are applied in order to evaluate their accuracy in describing the hydration structure of alkali metal ions. Theoretical results are compared to available experimental data. Our results indicate that addition of corrections accounting for dispersion forces significantly improves the agreement between predicted and measured coordination numbers for both Na<sup>+</sup> and K<sup>+</sup> cations. Analysis of radial distribution functions brings further support to the notion that the choice of the generalised gradient approximation density functional impacts crucially on the computed structural properties. DRSLL-optB88 and BLYP-D3 provide the best agreement with experiment.
DOI: 10.6084/m9.figshare.1000632
title: Gaussian Job Archive for C18H19Al2Br7

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.1000634.v1
title: Gaussian Job Archive for C7H7F3O3S

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.1000683.v7
title: Hydration structure of Na<sup>+</sup> and K<sup>+</sup> from <i>ab initio</i> molecular dynamics based on modern density functional theory

description: Molecular dynamics (Born–Oppenheimer) simulations based on density functional theory have been carried out to investigate the solvation structure of monovalent Na<sup>+</sup> and K<sup>+</sup> cations in water under ambient conditions. Four recently proposed van der Waals (vdW) density functionals (LMKLL, DRSLL, DRSLL-PBE, DRSLL-optB88), the semiempirical vdW method of Grimme (BLYP-D3) and conventional gradient-corrected (GGA-BLYP) density functionals are applied in order to evaluate their accuracy in describing the hydration structure of alkali metal ions. Theoretical results are compared to available experimental data. Our results indicate that addition of corrections accounting for dispersion forces significantly improves the agreement between predicted and measured coordination numbers for both Na<sup>+</sup> and K<sup>+</sup> cations. Analysis of radial distribution functions brings further support to the notion that the choice of the generalised gradient approximation density functional impacts crucially on the computed structural properties. DRSLL-optB88 and BLYP-D3 provide the best agreement with experiment.
DOI: 10.6084/m9.figshare.999240
title: UCLA 2014 Talk : Brown Dwarfs in Young Moving Groups

description: A description of our survey for young brown dwarfs in nearby moving groups, and the presentation of the latest results, given at the UCLA Journal talk of april 15, 2014.
DOI: 10.6084/m9.figshare.1000632.v1
title: Gaussian Job Archive for C18H19Al2Br7

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.999240.v1
title: UCLA 2014 Talk : Brown Dwarfs in Young Moving Groups

description: A description of our survey for young brown dwarfs in nearby moving groups, and the presentation of the latest results, given at the UCLA Journal talk of april 15, 2014.
DOI: 10.6084/m9.figshare.999148
title: Diagnostic CTs Patients 1-5

description: Diagnostic CTs Patients 1-5
DOI: 10.6084/m9.figshare.999149
title: Diagnostic Cts Patients 9,10,11

description: Diagnostic Cts Patients 9,10,11
DOI: 10.6084/m9.figshare.999151
title: Simulation non contrast CTs patients 1 to 8

description: Simulation non contrast CTs patients 1 to 8
DOI: 10.6084/m9.figshare.999148.v1
title: Diagnostic CTs Patients 1-5

description: Diagnostic CTs Patients 1-5
DOI: 10.6084/m9.figshare.999150
title: Simulation non contrast CTs patients 9,10,11

description: Simulation non contrast CTs patients 9,10,11
DOI: 10.6084/m9.figshare.999151.v2
title: Simulation non contrast CTs patients 1 to 8

description: Simulation non contrast CTs patients 1 to 8
DOI: 10.6084/m9.figshare.999149.v1
title: Diagnostic Cts Patients 9,10,11

description: Diagnostic Cts Patients 9,10,11
DOI: 10.6084/m9.figshare.999150.v2
title: Simulation non contrast CTs patients 9,10,11

description: Simulation non contrast CTs patients 9,10,11
DOI: 10.6084/m9.figshare.999151.v1
title: Simulation non copntrast CTs patients 1 to 8

description: Simulation non copntrast CTs patients 1 to 8
DOI: 10.6084/m9.figshare.999147
title: Diagnostic CTs Patients 6,7,8

description: Diagnostic CTs Patients 6,7,8
DOI: 10.6084/m9.figshare.999145
title: ROIs

description: Anonymized SimCT and DxCT ROIs
DOI: 10.6084/m9.figshare.999147.v1
title: Diagnostic CTs Patients 6,7,8

description: Diagnostic CTs Patients 6,7,8
DOI: 10.6084/m9.figshare.999150.v1
title: Simulation non copntrast CTs patients 9,10,11

description: Simulation non copntrast CTs patients 9,10,11
DOI: 10.6084/m9.figshare.999142
title: Gaussian Job Archive for C6H14O4

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.999145.v1
title: ROIs

description: Anonymized SimCT and DxCT ROIs
DOI: 10.6084/m9.figshare.999143
title: A fuzzy multiple-attribute decision-making modelling for vulnerability analysis on the basis of population information for disaster management

description: Research activity and published literature on the reliability and vulnerability analysis of urban areas for disaster management has grown tremendously in the recent past. Population information has played the most important role during the entire disaster management process. In this article, population information was used as the evaluation criterion, and a fuzzy multiple-attribute decision-making (MADM) approach was used to support a vulnerability analysis of the Helsinki area for disaster management. A kernel density map was produced as a result that showed the vulnerable spatial locations in the event of a disaster. Model results were first validated against the original population information kernel density maps. In the second step, the model was validated by using fuzzy set accuracy assessment and the actual domain knowledge of the rescue experts. This is a novel approach to validation, which makes it possible to see how and if computer decision-making models compare to a real decision-making process in disaster management. The validation results showed that the fuzzy model has produced a reasonably accurate result. By using fuzzy modelling, the number of vulnerable areas was reduced to a reasonable scale and compares to the actual human assessment of these areas, which allows resources to be optimised during the rescue planning and operation.
DOI: 10.6084/m9.figshare.999141
title: Gaussian Job Archive for C7H7F3O3S

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.999139
title: Gaussian Job Archive for C6H14O4

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.999141.v1
title: Gaussian Job Archive for C7H7F3O3S

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.