| Experimental and theoretical electron density analysis of copper pyrazine nitrate quasi-low-dimensional quantum magnets LHR Dos Santos, A Lanza, AM Barton, J Brambleby, WJA Blackmore, ... Journal of the American Chemical Society 138 (7), 2280-2291, 2016 | 55 | 2016 |
| Can X-ray constrained Hartree–Fock wavefunctions retrieve electron correlation? A Genoni, LHR Dos Santos, B Meyer, P Macchi IUCrJ 4 (2), 136-146, 2017 | 54 | 2017 |
| Unconstrained and X-ray constrained extremely localized molecular orbitals: analysis of the reconstructed electron density LHR Dos Santos, A Genoni, P Macchi Acta Crystallographica Section A: Foundations and Advances 70 (6), 532-551, 2014 | 43 | 2014 |
| Distributed atomic polarizabilities of amino acids and their hydrogen-bonded aggregates LHR Dos Santos, A Krawczuk, P Macchi The Journal of Physical Chemistry A 119 (13), 3285-3298, 2015 | 41 | 2015 |
| Understanding metal–ligand interactions in coordination polymers using Hirshfeld surface analysis CB Pinto, LHR Dos Santos, BL Rodrigues Acta Crystallographica Section C: Structural Chemistry 75 (6), 707-716, 2019 | 37 | 2019 |
| The role of hydrogen bond in designing molecular optical materials LHR Dos Santos, P Macchi Crystals 6 (4), 43, 2016 | 28 | 2016 |
| Correlation between Accurate Electron Density and Linear Optical Properties in Amino Acid Derivatives: l-Histidinium Hydrogen Oxalate AS Chimpri, M Gryl, LHR Dos Santos, A Krawczuk, P Macchi Crystal growth & design 13 (7), 2995-3010, 2013 | 23 | 2013 |
| Quasi-2D Heisenberg Antiferromagnets [CuX(pyz)2](BF4) with X = Cl and Br M Kubus, A Lanza, R Scatena, LHR Dos Santos, B Wehinger, N Casati, ... Inorganic chemistry 57 (9), 4934-4943, 2018 | 21 | 2018 |
| Short hydrogen bonds in a new salt of pyromellitic acid: An experimental charge density investigation LHR Dos Santos, BL Rodrigues, YM Idemori, NG Fernandes Journal of molecular structure 1014, 102-109, 2012 | 18 | 2012 |
| Optical properties of metal–organic networks from distributed atomic polarizabilities M Ernst, LHR Dos Santos, P Macchi CrystEngComm 18 (38), 7339-7346, 2016 | 12 | 2016 |
| Response of Hirshfeld surface to structural modifications in transition-metal coordination compounds CB Pinto, LHR Dos Santos, BL Rodrigues Crystal Growth & Design 20 (7), 4827-4838, 2020 | 11 | 2020 |
| Four new coordination polymers involving transition metals with 1, 2, 4, 5-benzenetetracarboxylate and pyridyl-donor ligand di (4-pyridyl) sulfide CC Corrêa, LB Lopes, LHR dos Santos, R Diniz, MI Yoshida, ... Inorganica Chimica Acta 367 (1), 187-193, 2011 | 11 | 2011 |
| Crystal field effects on atomic and functional-group distributed polarizabilities of molecular materials RF Ligorio, A Krawczuk, LHR Dos Santos The Journal of Physical Chemistry A 124 (48), 10008-10018, 2020 | 10 | 2020 |
| Accurate modelling of group electrostatic potential and distributed polarizability in dipeptides A Jabłuszewska, A Krawczuk, LHR Dos Santos, P Macchi ChemPhysChem 21 (19), 2155-2165, 2020 | 9 | 2020 |
| Accurate modelling of group electrostatic potential and distributed polarizability in dipeptides A Jabłuszewska, A Krawczuk, LHR Dos Santos, P Macchi ChemPhysChem 21 (19), 2155-2165, 2020 | 9 | 2020 |
| Crystal structure, vibrational frequencies and polarizability distribution in hydrogen-bonded salts of pyromellitic acid LHR Dos Santos, A Krawczuk, CHJ Franco, R Diniz Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 2020 | 6 | 2020 |
| Applications of charge-density analysis to the rational design of molecular materials: A mini review on how to engineer optical or magnetic crystals LHR Dos Santos Journal of Molecular Structure 1203, 127431, 2020 | 6 | 2020 |
| Synthesis of Mercaptobenzothiazole and Mercaptobenzimidazole Condensed with Inositol Derivatives JV de Assis, MRC Couri, RS Porto, WB de Almeida, LHR dos Santos, ... Journal of Heterocyclic Chemistry 50 (S1), E142-E147, 2013 | 6 | 2013 |
| Understanding Intermolecular Interactions in the Solid State: Approaches and Techniques, edited by D. Chopra, ch. 7 M Ernst, LHR Dos Santos, A Krawczuk, P Macchi Cambridge: Royal Society of Chemistry, 2019 | 5 | 2019 |
| Estimating electron density at the bond critical point through atomic Hirshfeld surfaces CB Pinto, BL Rodrigues, LHR Dos Santos Journal of Applied Crystallography 54 (6), 1600-1605, 2021 | 4 | 2021 |
