Leonardo H. R. Dos Santos

Can X-ray constrained Hartree–Fock wavefunctions retrieve electron correlation?

Alessandro Genoni, Leonardo H. R. Dos Santos, Benjamin Meyer et al. · IUCrJ · 2017 · 53 citations · Full text

Experimental and Theoretical Electron Density Analysis of Copper Pyrazine Nitrate Quasi-Low-Dimensional Quantum Magnets

Leonardo H. R. Dos Santos, Arianna Lanza, Alyssa M. Barton et al. · Journal of the American Chemical Society · 2016 · 46 citations · Full text

Metal-organic Polymeric Magnets, Engineering, Low-dimensional Magnetism +18

Distributed Atomic Polarizabilities of Amino Acids and their Hydrogen-Bonded Aggregates

Leonardo H. R. Dos Santos, Anna Krawczuk, Piero Macchi · The Journal of Physical Chemistry A · 2015 · 44 citations · Full text

Engineering, Amino Acids, Computational Chemistry +18

Unconstrained and X-ray constrained extremely localized molecular orbitals: analysis of the reconstructed electron density

Leonardo H. R. Dos Santos, Alessandro Genoni, Piero Macchi · Acta Crystallographica Section A Foundations and Advances · 2014 · 43 citations · Full text

X-ray Crystallography, Crystal Structure, X-ray Spectroscopy +20

Understanding metal–ligand interactions in coordination polymers using Hirshfeld surface analysis

Camila Batista Pinto, Leonardo H. R. Dos Santos, Bernardo L. Rodrigues · Acta Crystallographica Section C Structural Chemistry · 2019 · 40 citations