Search filters

List of works by Alberto Fabrizio

Data Mining the C−C Cross‐Coupling Genome

Hamiltonian-Reservoir Replica Exchange and Machine Learning Potentials for Computational Organic Chemistry

scientific article published on 07 April 2020

Highly Substituted Δ3 -1,2,3-Triazolines: Solid-State Emitters with Electrofluorochromic Behavior

scientific article published on 26 April 2019

How do London Dispersion Interactions Impact the Photochemical Processes of Molecular Switches?

scientific article published on 10 January 2018

Learning on-top: Regressing the on-top pair density for real-space visualization of electron correlation

scientific article published on 01 November 2020

Local Kernel Regression and Neural Network Approaches to the Conformational Landscapes of Oligopeptides

scientific article published on 18 February 2022

Machine learning models of the energy curvature vs particle number for optimal tuning of long-range corrected functionals

scientific article published on 01 April 2020

Open-Shell Nonbenzenoid Nanographenes Containing Two Pairs of Pentagonal and Heptagonal Rings

scientific article published on 23 July 2019

Qualitatively Incorrect Features in the TDDFT Spectrum of Thiophene-Based Compounds.

scientific article

Quantum Chemical Study of the Water Exchange Mechanism of the Americyl(VI) Aqua Ion

scientific article published on 14 October 2016

Rationalizing fluorescence quenching in meso-BODIPY dyes

scientific article published on 01 December 2016

SPA<sup>H</sup>M: the spectrum of approximated Hamiltonian matrices representations

scientific article published in 2022

Synthesis of aminyl biradicals by base-induced Csp3-Csp3 coupling of cationic azo dyes

scientific article published on 09 May 2019

The role of bridging ligands in dinitrogen reduction and functionalization by uranium multimetallic complexes

scientific article published on 12 November 2018

Transferable Machine-Learning Model of the Electron Density

scholarly article by Andrea Grisafi et al published 23 January 2019 in ACS Central Science

Tuning the structure, reactivity and magnetic communication of nitride-bridged uranium complexes with the ancillary ligands

scientific article published on 13 August 2019