 | Up a level |
Genoni, Alessandro; Rezende dos Santos, Leonardo Humberto; Meyer, Benjamin; Macchi, Piero (2017). Can X-ray constrained Hartree–Fock wavefunctions retrieve electron correlation? IUCrJ, 4(2), pp. 136-146. International Union of Crystallography 10.1107/S2052252516019217
Rezende dos Santos, Leonardo Humberto; Lanza, Arianna; Barton, Alyssa M.; Brambleby, Jamie; Blackmore, William J. A.; Goddard, Paul A.; Xiao, Fan; Williams, Robert C.; Lancaster, Tom; Pratt, Francis L.; Blundell, Stephen J.; Singleton, John; Manson, Jamie L.; Macchi, Piero (2016). Experimental and Theoretical Electron Density Analysis of Copper Pyrazine Nitrate Quasi-Low-Dimensional Quantum Magnets. Journal of the American Chemical Society, 138(7), pp. 2280-2291. American Chemical Society 10.1021/jacs.5b12817
Rezende dos Santos, Leonardo Humberto; Macchi, Piero (2016). The Role of Hydrogen Bond in Designing Molecular Optical Materials. Crystals, 6(4), p. 43. MDPI 10.3390/cryst6040043
Ernst, Michelle; Rezende dos Santos, Leonardo Humberto; Macchi, Piero (2016). Optical properties of metal–organic networks from distributed atomic polarizabilities. CrystEngComm, 18(38), pp. 7339-7346. Royal Society of Chemistry 10.1039/C6CE00918B
Rezende dos Santos, Leonardo Humberto; Krawczuk, Anna Malgorzata; Macchi, Piero (2015). Distributed Atomic Polarizabilities of Amino Acids and their Hydrogen-Bonded Aggregates. Journal of physical chemistry. A, 119(13), pp. 3285-3298. American Chemical Society 10.1021/acs.jpca.5b00069
Rezende dos Santos, Leonardo Humberto; Genoni, A; Macchi, Piero (2014). Unconstrained and X-ray constrained Extremely Localized Molecular Orbitals: analysis of the reconstructed electron density. Acta Crystallographica Section A, 70(6), pp. 532-551. International Union of Crystallography 10.1107/S2053273314019652
Macchi, Piero; Rezende dos Santos, Leonardo Humberto; Krawczuk, Anna Malgorzata (2017). Cluster analysis of functional group polarizabilities (Submitted). In: 24th Congress and General Assembly of the International Union of Crystallography. Hyderabad, India. 21.-28.8.2017.
Lanza, Arianna; Scatena, Rebecca; Rezende dos Santos, Leonardo Humberto; Kubus, Mariusz; Krämer, Karl; Keller, Lukas; Fennell, Tom; Wehinger, Björn; Biffin, Alun; Rüegg, Christian; Casati, Nicola; Macchi, Piero (2016). Copper-pyrazine magnetic polymers under high pressure. Acta Crystallographica Section A Foundations and Advances, 72(a1), s88. International Union of Crystallography 10.1107/S2053273316098697
Scatena, Rebecca; Rezende dos Santos, Leonardo Humberto; Lanza, Arianna; Casati, Nicola; Wehinger, Björn; Rüegg, Christian; Kubus, Mariusz; Krämer, Karl; Keller, Lukas; Fennell, Tom; Biffin, Alun; Macchi, Piero (2016). Electron density analysis in quantum magnets. Acta Crystallographica Section A Foundations and Advances, 72(a1), s313-s313. International Union of Crystallography 10.1107/S2053273316095309
Macchi, Piero; Rezende dos Santos, Leonardo Humberto; Krawczuk, Anna Malgorzata (2013). Calculation of crystal optical properties from molecular electron density. In: Meeting of the Italian Spanish and Swiss Crystallographic Associations. Como, Italy. 9-12 September 2013.
Rezende dos Santos, Leonardo Humberto (2016). Materials properties from electron density distributions: Molecular magnetism and linear optical properties. (Dissertation, Universität Bern, Philosophisch-naturwissenschaftliche Fakultät)
