Carlo Alberto Gaggioli

20152018
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Gold Chemical Compounds
Ligands Chemical Compounds
Chemical activation Chemical Compounds
Potential energy surfaces Chemical Compounds
Hydrides Chemical Compounds
Orbits Chemical Compounds
Atoms Engineering & Materials Science
Molecules Chemical Compounds

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Research Output 2015 2018

1 Citations

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

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
7 Citations

Globularity-Selected Large Molecules for a New Generation of Multication Perovskites

Gholipour, S., Ali, A. M., Correa-Baena, J. P., Turren-Cruz, S. H., Tajabadi, F., Tress, W., Taghavinia, N., Grätzel, M., Abate, A., De Angelis, F., Gaggioli, C. A., Mosconi, E., Hagfeldt, A. & Saliba, M., Oct 11 2017, In : Advanced Materials. 29, 38, 1702005.

Research output: Contribution to journalArticle

Positive ions
Molecules
Cations
Open circuit voltage
Monovalent Cations
7 Citations

Modulating the Bonding Properties of N-Heterocyclic Carbenes (NHCs): A Systematic Charge-Displacement Analysis

Gaggioli, C. A., Bistoni, G., Ciancaleoni, G., Tarantelli, F., Belpassi, L. & Belanzoni, P., Jan 1 2017, In : Chemistry - A European Journal. 23, 31, p. 7558-7569 12 p.

Research output: Contribution to journalArticle

Chemical shift
Atoms
Nuclear magnetic resonance
Modulation
Nitrogen
3 Citations

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., Jan 1 2017, (Accepted/In press) In : Chemistry - A European Journal.

Research output: Contribution to journalArticle

Potential energy surfaces
Gold
Density functional theory
Orbits
Hamiltonians