Rezende dos Santos, Leonardo Humberto

Up a level
Export as [feed] RSS
Group by: Date | Item Type | Refereed | No Grouping
Jump to: 2016 | 2015 | 2014 | 2013

2016

Rezende dos Santos, Leonardo Humberto (2016). Materials properties from electron density distributions: Molecular magnetism and linear optical properties. (Dissertation, Universität Bern, Philosophisch-naturwissenschaftliche Fakultät)

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. Molecular Diversity Preservation International 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

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

2015

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

2014

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

2013

Chimpri, Abita Shyorotra; Gryl, Marlena; Dos Santos, Leonardo H, R.; Krawczuk, Anna; Macchi, Piero (2013). Correlation between Accurate Electron Density and Linear Optical Properties in Amino Acid Derivatives: L-Histidinium Hydrogen Oxalate. Crystal growth & design, 13(7), pp. 2995-3010. American Chemical Society 10.1021/cg400411t

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.

Provide Feedback