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Sponsored AI Networking Cookbook: Practical recipes for AI-assisted network automation and development AI Networking Cookbook: Practical recipes for AI-assisted network automation and development

Author

P. Sarkar

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Aug 2026

Unraveling the Molecular Origin of the Unprecedented ortho-Chloride Effect in Cobalt-Catalyzed Asymmetric Hydrogenation of 1,1-Diarylethenes.

The molecular origin of the unusual ortho-chloride effect in cobalt-catalyzed asymmetric hydrogenation of 1,1-diarylethenes has been investigated using density functional theory. The complete catalytic cycle, including alkene coordination, alkene insertion, hydrogen activation, and catalyst regeneration, was elucidated...

Akhilesh Mahato, Anupama Mahato, Anup Pramanik et al. · 0 citations
Review Aug 2026

MOFs, COFs and beyond: a theoretical perspective on the electrocatalytic activities of 2D materials toward sustainable energy conversion.

The rational design of advanced catalytic materials for sustainable electrochemical energy conversion hinges on a deep understanding of structure-property relationships at the atomic scale. In this mini-review, we highlight recent advances in the computationally driven design of framework-based and two-dimensional (2D)...

Biswajit Ball, P. Roy, Priya Das et al. · 0 citations

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