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  • 12 Similar Profiles
Gold Chemical Compounds
Ligands Chemical Compounds
Chemical activation Chemical Compounds
Potential energy surfaces Chemical Compounds
Hydrides Chemical Compounds
Berkelium Chemical Compounds
Density functional theory Chemical Compounds
Atoms Engineering & Materials Science

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Research Output 2015 2019

6 Citations (Scopus)

Synthesis and Characterization of Tris-chelate Complexes for Understanding f-Orbital Bonding in Later Actinides

Galley, S. S., Pattenaude, S. A., Gaggioli, C. A., Qiao, Y., Sperling, J. M., Zeller, M., Pakhira, S., Mendoza-Cortes, J. L., Schelter, E. J., Albrecht-Schmitt, T. E., Gagliardi, L. & Bart, S. C., Jan 1 2019, In : Journal of the American Chemical Society.

Research output: Contribution to journalArticle

Berkelium
Californium
Actinoid Series Elements
Lanthanoid Series Elements
Actinides
4 Citations (Scopus)

Tuning the Properties of Zr 6 O 8 Nodes in the Metal Organic Framework UiO-66 by Selection of Node-Bound Ligands and Linkers

Wei, R., Gaggioli, C. A., Li, G., Islamoglu, T., Zhang, Z., Yu, P., Farha, O. K., Cramer, C., Gagliardi, L., Yang, D. & Gates, B. C., Mar 12 2019, In : Chemistry of Materials. 31, 5, p. 1655-1663 9 p.

Research output: Contribution to journalArticle

formic acid
Benzene
Tuning
Metals
Ligands
8 Citations (Scopus)

C-H Bond Activation on Bimetallic Two-Atom Co-M Oxide Clusters Deposited on Zr-Based MOF Nodes: Effects of Doping at the Molecular Level

Simons, M. C., Ortuño, M. A., Bernales, V., Gaggioli, C. A., Cramer, C. J., Bhan, A. & Gagliardi, L., Apr 6 2018, In : ACS Catalysis. 8, 4, p. 2864-2869 6 p.

Research output: Contribution to journalArticle

Oxides
Metals
Chemical activation
Doping (additives)
Atoms
5 Citations (Scopus)

Spin-Forbidden Reactions: Adiabatic Transition States Using Spin–Orbit Coupled Density Functional Theory

Gaggioli, C. A., Belpassi, L., Tarantelli, F., Harvey, J. N. & Belanzoni, P., Apr 6 2018, In : Chemistry - A European Journal. 24, 20, p. 5006-5015 10 p.

Research output: Contribution to journalArticle

Potential energy surfaces
Gold
Density functional theory
Hamiltonians
Molecular oxygen
4 Citations (Scopus)

Theoretical Investigation of Plutonium-Based Single-Molecule Magnets

Gaggioli, C. A. & Gagliardi, L., Jul 16 2018, In : Inorganic Chemistry. 57, 14, p. 8098-8105 8 p.

Research output: Contribution to journalArticle

Plutonium
plutonium
Magnets
magnets
Ligands