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Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

Author

Raúl Fuentes-Azcatl

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Open access Aug 2026

Exploring dielectric response of CO2-methanol mixtures: the impact of CO2 bending vibrations via molecular dynamics

This study presents an accurate reproduction of the infrared spectrum associated with the O–C–O bending mode in the carbon dioxide (CO 2) molecule, employing the newly developed CO 2/ ϵ model. A comparative analysis is conducted between two molecular models for carbon dioxide: CO 2/TraPPEflex and CO 2/ ϵ. The latter de...

Raúl Fuentes-Azcatl, Héctor Domínguez · 0 citations

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