Gas phase studies of carbon dioxide activation have emerged as a pivotal area of research, offering profound mechanistic insights into the transformation of this ubiquitous molecule. Researchers ...

Their representation, which incorporates additional information about (natural bond) orbitals and their interactions, performs better than standard molecular graphs. Computational chemists use ...

In 2024, an explicit and explainable artificial neural network model was proposed, offering a robust estimation of CO₂ molecular diffusivity in heavy crude oils. This model, validated against ...

† School of Materials Science and Engineering and ‡ WCU Department of Nanobio Materials and Electronics, Gwangju Institute of Science and Technology, Gwangju 500-712, Korea Korea Institute of Science ...

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