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Dataset results
256 results for “Computational Modelling”
P in Identification of morphologically cryptic species with computer vision models: wall lizards (Squamata: Lacertidae: Podarcis) as a case study
P. guadarramae
P in Identification of morphologically cryptic species with computer vision models: wall lizards (Squamata: Lacertidae: Podarcis) as a case study
P. tunesiacus
P in Identification of morphologically cryptic species with computer vision models: wall lizards (Squamata: Lacertidae: Podarcis) as a case study
P. bocagei
DFT Calculated xyz in Support of "Computational Modelling and Mechanistic Insight into Light-driven CO Dissociation of square-planar Rh(I) Complexes"
<p>The C-H activation of alkanes mediated by electron-rich metal complexes, such as Rh(I) complexes, has drawn considerable attention in recent decades. In order to interact with the C-H bond, most Rh complexes, such as <em>trans-</em>Rh(PMe<sub>3</sub>)<sub>2</sub>(CO)(Cl) need to be activated through irradiation, which leads to the photocleavage of the Rh-CO bond and the formation of the active species Rh(PMe<sub>3</sub>)<sub>2</sub>(Cl). To elucidate the details of the photochemistry of <em>trans-</em>Rh(PMe<sub>3</sub>)<sub>2</sub>(CO)(Cl), we here present a computationally derived picture as obtained at the density functional level of theory (DFT) in combination with multireference wavefunction-based methods. We have identified that the photocleavage of CO proceeds via the metal-centered excited state, which is populated through intersystem crossing (ISC) from the dipole-allowed excited state S<sub>1</sub>. Moreover, the present study unraveled the reasons for the low C-H activation efficiency when using Rh featuring the bidentate ligand 1,2-bis(dimethylphosphino)ethane (dmpe), namely due to its unfavorable photochemical properties, i.e., the small driving force for light-induced CO loss and the fast deactivation of <sup>3</sup>MC state back to the singlet ground state. In this study, we provide theoretical insight into mechanistic details underlying the light-induced CO dissociation process, for Rh complexes featuring PMe<sub>3</sub> and dmpe ligands.</p>
Knowledge-based Iterative Model Reconstruction at Low-kilovoltage (kV) Cardiac Computed Tomography (CT)
ClinicalTrials.gov study NCT01896674. IPD Sharing: Not stated. Countries: 0. Publications: 1.
Computational Modeling of 60 Hz Subthalamic Nucleus Deep Brain Stimulation for Gait Disorder in Parkinson's Disease
ClinicalTrials.gov study NCT04184791. IPD Sharing: NO. Countries: 1. Publications: 0.
Data from: Computational and experimental characterization of dVHL establish a Drosophila model of VHL syndrome
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Data from: A probabilistic metric for the validation of computational models
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Data from: A computational model of flow between the microscale respiratory structures of fish gills
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Data from: Comparative finite-element analysis: a single computational modeling method can reliably estimate the mechanical properties of porcine and human vertebrae
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Data from: Computing the local field potential (LFP) from integrate-and-fire network models
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Data from: Drug delivery in a tumour cord model: a computational simulation
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Data from: Modeling the internet of things, self-organizing and other complex adaptive communication networks: a cognitive agent-based computing approach
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Junction Usage Model (JUM) is a computational method for comprehensive annotation-free analysis of alternative pre-mRNA splicing patterns
GEO Series GSE118193. Drosophila melanogaster. 12 samples. Type: Expression profiling by high throughput sequencing.
Computational modeling integrating transcriptomic and vulnerability responses can predict suppressors of cell death as candidate targets for cancer therapy
GEO Series GSE255459. Homo sapiens. 18 samples. Type: Expression profiling by high throughput sequencing.
A computational framework for identifying promoter sequences in non-model organisms using RNA-seq datasets
GEO Series GSE162089. Methylotuvimicrobium buryatense. 56 samples. Type: Expression profiling by high throughput sequencing.
A pore-scale 3D dynamic morphological modeling and physical characterization of hydrate-bearing sediment based on computed tomography images
<p><strong>Introduction</strong></p> <p>This supporting information includes one figure S1, which is the representative elemental volume (REV) used in this study. And the figure S1 is consisted of 300 slices with a voxel size of 4.4 μm. There are two phases in the REV: the sand and the pore.</p> <p> </p> <p>Figure S1 is uploaded with file name Figure S1-REV300.am, which is the representative elemental volume (REV) used in this study</p>
Pore-scale 3D dynamic morphological modeling and physical characterization of hydrate-bearing sediment based on computed tomography images
<p>This supporting information includes one Figure-S1-REV300, which is the representative elemental volume (REV) used in this study. And the Figure-S1-REV300 is 300*300*300 with a voxel size of 4.4 μm. There are two phases in the REV: the sand and the pore.</p> <p>Figure S1 is uploaded with file name Figure S1-REV300.tif, which is the representative elemental volume (REV) used in this study</p>
Designing Computer Science Competency Statements: A Process and Curriculum Model for the 21st Century
<p>Companion materials - Based on CS2013 Knowedge Areas - Competency Statements for CS Curricula:</p> <p>Produced by members of the ITiCSE 2020 Working Group Report:</p> <p>Designing Computer Science Competency Statements: A Process and Curriculum Model for the 21st Century</p> <p>Clear, A., Clear, T., Vichare, A., Charles, T., Frezza, S., Gutica, M., . . . Pitt, F. (2020). Designing Computer Science Competency Statements: A Process and Curriculum Model for the 21st Century [In Press]. In Proceedings of the 2020 ACM Conference on Innovation and Technology in Computer Science Education (pp. TBA): ACM.</p>
Computational Modelling and Experimental Characterisation of the Fabrication of Tuneable Photonic Crystal pH Sensors: Supplementary Simulation Videos
<p>Simulation output videos to accompany the paper 'Computational Modelling and Experimental Characterisation of the Fabrication of Tuneable Photonic Crystal pH Sensors'.</p> <ul> <li>Film writing, with exported film image</li> <li>Film reading, at various expansions and pulse wavelengths (selected as the diffraction peak wavelengths identified in the paper)</li> </ul>
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These curated guides explain access requirements, typical timelines, costs, and reuse considerations for widely used research datasets.
Allen Brain Atlas
Allen Brain Atlas is an Allen Institute collection of brain map atlases, datasets, APIs, and analysis tools covering mouse, human, and non-human primate brain resources.
Annotated Behaviour and Observability Dataset (ABODe)
ABODe is a University of Edinburgh DataShare dataset for behavior classification in group-housed mice using home-cage video, identities, bounding boxes, ground-plate positions, and annotator labels.
DANDI Archive for NWB datasets
DANDI is a BRAIN Initiative archive for publishing and sharing neurophysiology data, including electrophysiology, optophysiology, and behavioral data packaged as NWB and related standards.
International Brain Laboratory public data
The International Brain Laboratory public data releases expose standardized mouse decision-making experiments, including Neuropixels recordings, widefield calcium imaging, behavior, and session metadata accessed through the ONE API.
OpenNeuro
OpenNeuro is a free, open platform for sharing neuroimaging datasets, with public search, dataset pages, and download paths for web, S3, DataLad, and the OpenNeuro CLI.