List of works by Francesco Buda

Analytical Nonadiabatic Couplings and Gradients within the State-Averaged Orbital-Optimized Variational Quantum Eigensolver

scientific article published on 14 January 2022

Crystallographic evidence of theoretically novel anion–π interactions

article

Energetic Effects of a Closed System Approach Including Explicit Proton and Electron Acceptors as Demonstrated by a Mononuclear Ruthenium Water Oxidation Catalyst. ⬇️

scientific article

Introducing a closed system approach for the investigation of chemical steps involving proton and electron transfer; as illustrated by a copper-based water oxidation catalyst

scientific article published on 5 January 2017

Orbital transformations to reduce the 1-norm of the electronic structure Hamiltonian for quantum computing applications

scientific article published in 2021

Photoinduced Electron Transfer in Donor-Acceptor Complexes: Isotope Effect and Dynamic Symmetry Breaking

scientific article published on 11 October 2019

Proton Acceptor near the Active Site Lowers Dramatically the O-O Bond Formation Energy Barrier in Photocatalytic Water Splitting

scientific article published on 02 December 2019

Spectro-electrochemical and DFT studies of a planar Cu(II)–phenolate complex active in the aerobic oxidation of primary alcohols

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