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Understanding Dioxygen Activation in the Fe(III)-Promoted Oxidative Dehydrogenation of Amines: A Computational Study
Published 2025-01-01“…The DFT calculations show that (i) <sup>3</sup>O<sub>2</sub> abstracts a hydrogen atom from the α-pyridine aliphatic C-H moiety, introducing a double bond regio-selectively at the C<sub>7</sub>N<sub>8</sub> position, via the hydrogen atom transfer (HAT) mechanism, (ii) O<sub>2</sub> does not coordinate to the iron center to generate a high-valent Fe oxo species observed in enzymes and biomimetic complexes, and (iii) the experimental activation parameters (ΔH<sup>≠</sup> = 20.38 kcal mol<sup>−1</sup>, ΔS<sup>≠</sup> = −0.018 kcal mol<sup>−1</sup> K<sup>−1</sup>) fall within in the range of values reported for HAT reactions and align well with the computational results for the activated complex [Fe<sup>II</sup>L<sup>3</sup><sub>N8•</sub>]<sup>2+</sup>···<sup>3</sup>O<sub>2</sub>.…”
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1202
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1203
Layout and composition for animation /
Published 2010Subjects: “…Computer animation. 4145…”
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1204
Advancements in the Application of Convolutional Neural Networks in Ultrasound Imaging for Breast Cancer Diagnosis and Treatment
Published 2025-03-01Subjects: “…|breast cancer|ultrasonography|computer neural networks…”
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1206
A dataset of blood slide images for AI-based diagnosis of malariaDataverse
Published 2025-02-01Subjects: Get full text
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1207
Object Tracking with the Drone: Systems Analysis
Published 2023-06-01Subjects: “…Computer Vision…”
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1208
AIding, Not Replacing, Clinicians
Published 2025-02-01Subjects: “…computer modeling…”
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1209
Edición especial en Ingeniería Eléctrica, Telecomunicaciones y Ciencias de la Computación
Published 2019-06-01Subjects: “…Electrical Engineering; Telecommunications Engineering; Computer Science…”
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Protocol to boost the robustness and accuracy of spatial transcriptomics algorithms using ensemble techniques
Published 2025-03-01Subjects: Get full text
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1212
Optimizing Clinical Reasoning: Unpacking the Impact of Virtual Patient Educational Duration in Cancer Care and Nursing Students’ Experiences
Published 2025-01-01Subjects: Get full text
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1213
Retracted: Analysis of Comprehensive Artificial Neural Network Computer Media Aided Construction of Economic Forecasting Model
Published 2024-01-01“…Journal of Electrical and Computer Engineering…”
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1214
Retracted: A Novel Deep Learning Model for Analyzing Psychological Stress in College Students
Published 2023-01-01“…Journal of Electrical and Computer Engineering…”
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1215
Retracted: Based on Knowledge Recognition and Using Binomial Distribution Function to Establish a Mathematical Model of Random Selection of Test Questions in the Test Bank
Published 2023-01-01“…Journal of Electrical and Computer Engineering…”
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1216
Retracted: Research on Load Balancing and Caching Strategy for Central Network
Published 2024-01-01“…Journal of Electrical and Computer Engineering…”
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1217
Retracted: Association Rule Mining Algorithm in College Students’ Quality Evaluation System
Published 2023-01-01“…Journal of Electrical and Computer Engineering…”
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1218
Retracted: CAD-Assisted 3D Assembly of Automobile Electrical Switch considering PSO-BP Neural Network Algorithm
Published 2024-01-01“…Journal of Electrical and Computer Engineering…”
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Retracted: Construction of Economic Management Big Data Platform Based on Artificial Intelligence Algorithm Monitoring and Early Warning
Published 2022-01-01“…Journal of Electrical and Computer Engineering…”
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Retracted: Design of Customer Churn Early Warning System Based on Mobile Communication Technology Based on Data Mining
Published 2022-01-01“…Journal of Electrical and Computer Engineering…”
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