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3,690 results for “Computing”
Fig. 2 in Structures of ganorbifates C-I, seven previously undescribed lanostanoids from the mushroom Ganoderma orbiforme, and insights of computed biosynthesis with DFT
Fig. 2. Structures of Structures of ganorbifates C–I (1–7).
Fig. 1 in Structure elucidation and absolute configuration of metabolites from the soil-derived fungus Dictyosporium digitatum using spectroscopic and computational methods
Fig. 1. Structures of compounds 1–16.
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>
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Computational results for the study "Computational evolution of social norms in well-mixed and group-structured populations"
<p>This is a collection of computational results for "Computational evolution of social norms in well-mixed and group-structured populations."</p> <p>The source code is available at https://github.com/yohm/sim_evo_social_norms</p>
Scalable Non-Volatile Tuning of Photonic Computational Memories by Automated Silicon Ion Implantation - Supporting Information
<p>Photonic integrated circuits (PICs) are revolutionizing the realm of information technology, promising unprecedented speeds and efficiency in data processing and optical communication. However, the nanoscale precision required to fabricate these circuits at scale presents significant challenges, due to the need to maintain consistency across wavelength-selective components, which necessitates individualized adjustments after fabrication. Harnessing spectral alignment by automated silicon ion implantation, in this work scalable and non-volatile photonic computational memories are demonstrated in high-quality resonant devices. Precise spectral trimming of large-scale photonic ensembles from a few picometers to several nanometres is achieved with long-term stability and marginal loss penalty. Based on this approach, spectrally aligned photonic memory and computing systems for general matrix multiplication are demonstrated, enabling wavelength multiplexed integrated architectures at large scales.</p>
Myocardial Stress Perfusion Computed Tomography in the Evaluation of Patients With Acute Chest Pain Using a Novel 3rd Generation Dual-source CT System
ClinicalTrials.gov study NCT02308475. IPD Sharing: Not stated. Countries: 1. Publications: 0.
Progression of AtheRosclerotic PlAque DetermIned by Computed TomoGraphic Angiography Imaging(PARADIGM)
ClinicalTrials.gov study NCT02803411. IPD Sharing: UNDECIDED. Countries: 0. Publications: 18.
Computer Assisted Volumetric Analysis of CT-Identified Metastatic Pulmonary Or Hepatic Lesions
ClinicalTrials.gov study NCT00676455. IPD Sharing: Not stated. Countries: 1. Publications: 0.
Low-dose Whole Body Computed Tomography Scanning
ClinicalTrials.gov study NCT03425032. IPD Sharing: NO. Countries: 0. Publications: 2.
Low-Dose Chest Computed Tomography Screening for Lung Cancer in Survivors of Hodgkin's Disease
ClinicalTrials.gov study NCT00601146. IPD Sharing: NO. Countries: 1. Publications: 0.
Epidural Computer Controlled System for the Epidural Space Verification
ClinicalTrials.gov study NCT03165708. IPD Sharing: NO. Countries: 0. Publications: 1.
Cognitive/Physical Computer-Game Blended Training With Personalized Brain Network Activation Technology for the Elderly
ClinicalTrials.gov study NCT02417558. IPD Sharing: Not stated. Countries: 0. Publications: 5.
Sensorimotor Rhythm Brain-Computer Interface Switch to Operate Assistive Technology
ClinicalTrials.gov study NCT01117727. IPD Sharing: Not stated. Countries: 1. Publications: 0.
Suicide Prediction and Prevention for People at Risk for Opioid Use Disorder: Supplement to COMPUTE 2.0
ClinicalTrials.gov study NCT04939727. IPD Sharing: Not stated. Countries: 1. Publications: 0.
Using Computers to Assist in Parental Smoking Cessation in a Pediatric Setting
ClinicalTrials.gov study NCT01334216. IPD Sharing: NO. Countries: 1. Publications: 0.
GAME Veterans With PTSD Using Computer-Based Cognitive Training
ClinicalTrials.gov study NCT01087775. IPD Sharing: Not stated. Countries: 1. Publications: 0.
Evaluating the Personal Computer as a Treatment Activity in Occupational Therapy
ClinicalTrials.gov study NCT00001516. IPD Sharing: Not stated. Countries: 1. Publications: 3.
Computer-delivered Screening and Brief Intervention for Alcohol Use in Pregnancy
ClinicalTrials.gov study NCT01643044. IPD Sharing: Not stated. Countries: 1. Publications: 0.
Timing for Computed Tomography and Post-Resuscitation Care on Short-Term Outcomes in Out-of-Hospital Cardiac Arrest
ClinicalTrials.gov study NCT06936917. IPD Sharing: NO. Countries: 0. Publications: 3.
ScienceDex guides
Understand access before you commit
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.