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9 results on '"Laura Gagliardi"'

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1. Actinide 2-metallabiphenylenes that satisfy Hückel’s rule

2. Scaling exchange and correlation in the on-top density functional of multiconfiguration pair-density functional theory: effect on electronic excitation energies and bond energies

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3. Elucidating bonding preferences in tetrakis(imido)uranate(VI) dianions

4. Methane functionalization by an Ir(III) catalyst supported on a metal–organic framework: an alternative explanation of steric confinement effects

5. Theoretic study of the electronic spectra of neutral and cationic PaO and PaO2

6. Ab initio DFT study of Z–E isomerization pathways of N–benzylideneaniline

7. AMOEBA force field parameterization of the azabenzenes

8. A theoretical study of the N 8 cubane to N 8 pentalene isomerization reaction

9. A complete active-space self-consistent-field study on cubic N8