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Publications by Laura Gagliardi

Metal–Organic Framework Nodes as Nearly Ideal Supports for Molecular Catalysts: NU-1000- And UiO-66-Supported Iridium Complexes

Journal of the American Chemical Society
BiochemistryColloidCatalysisChemistrySurface Chemistry
2015English

Uranium(III)-Carbon Multiple Bonding Supported by Arene Δ-Bonding in Mixed-Valence Hexauranium Nanometre-Scale Rings

Nature Communications
AstronomyGeneticsMolecular BiologyBiochemistryChemistryPhysics
2018English

Bimetallic Nickel-Lutetium Complexes: Tuning the Properties and Catalytic Hydrogenation Activity of the Ni Site by Varying the Lu Coordination Environment

Chemical Science
Chemistry
2019English

Correction to Multiconfiguration Pair-Density Functional Theory: A Fully Translated Gradient Approximation and Its Performance for Transition Metal Dimers and the Spectroscopy of Re2Cl82–

Journal of Chemical Theory and Computation
Theoretical ChemistryComputer Science ApplicationsPhysical
2015English

Modeling Optical Spectra of Large Organic Systems Using Real-Time Propagation of Semiempirical Effective Hamiltonians

Journal of Chemical Theory and Computation
Theoretical ChemistryComputer Science ApplicationsPhysical
2017English

Automation of Active Space Selection for Multireference Methods via Machine Learning on Chemical Bond Dissociation

Journal of Chemical Theory and Computation
Theoretical ChemistryComputer Science ApplicationsPhysical
2020English

Parametrization of Combined Quantum Mechanical and Molecular Mechanical Methods: Bond-Tuned Link Atoms

Molecules
Organic ChemistryMolecular MedicineAnalytical ChemistryTheoretical ChemistryPharmaceutical ScienceMedicineDrug DiscoveryChemistryPhysical
2018English

Multiple Bonds in Novel Uranium-Transition Metal Complexes

2019English

Scandium Cycloheptanitride, ScN7: A Predicted High-Energy Molecule Containing an [Η7-N7]3-Ligand

Journal of the American Chemical Society
BiochemistryColloidCatalysisChemistrySurface Chemistry
2001English

Helicate Extension as a Route to Molecular Wires

Chemistry - A European Journal
Organic ChemistryCatalysisChemistry
2008English

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