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Carbon dioxide interaction with isolated imidazole or attached on gold clusters and surface: Competition between σ H-bond and π stacking interaction (2014)
Journal Article
Prakash, M., Mathivon, K., Benoit, D. M., Chambaud, G., & Hochlaf, M. (2014). Carbon dioxide interaction with isolated imidazole or attached on gold clusters and surface: Competition between σ H-bond and π stacking interaction. Physical chemistry chemical physics : PCCP, 16(24), 12503-12509. https://doi.org/10.1039/c4cp01292e

Using first principle methodologies, we investigate the subtle competition between σ H-bond and π stacking interaction between CO 2 and imidazole either isolated, adsorbed on a gold cluster or adsorbed on a gold surface. These computations are perfor... Read More about Carbon dioxide interaction with isolated imidazole or attached on gold clusters and surface: Competition between σ H-bond and π stacking interaction.