Physical and chemical properties from the electron density distribution of materials

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Publications Brambleby, Jamie; Manson, Jamie L.; Goddard, Paul A.; Stone, Matthew B.; Johnson, Roger D.; Manuel, Pascal; Villa, Jacqueline A.; Brown, Craig M.; Lu, Helen; Chikara, Shalinee; Zapf, Vivien; Lapidus, Saul H.; Scatena, Rebecca; Macchi, Piero; Chen, Yu-sheng; Wu, Lai-Chin; Singleton, John (2017). Combining microscopic and macroscopic probes to untangle the single-ion anisotropy and exchange energies in an S = 1 quantum antiferromagnet. Physical review. B - condensed matter and materials physics, 95(13) American Physical Society 10.1103/PhysRevB.95.134435
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
Della Pergola, Roberto; Sironi, Annalisa; Colombo, Valentina; Garlaschelli, Luigi; Racioppi, Stefano; Sironi, Angelo; Macchi, Piero (2017). Periodical trends in [Co 6 E(CO) 16 ]- clusters: Structural, synthetic and energy changes produced by substitution of P with As. Journal of organometallic chemistry, 849-850, pp. 130-136. Elsevier 10.1016/j.jorganchem.2017.05.041
Ferretti, Francesco; Rimoldi, Martino; Ragaini, Fabio; Macchi, Piero (2018). Reaction of arylhydroxylamines with [Pd(Neoc)(NO 3 ) 2 ] (Neoc = neocuproine). Non-innocent behavior of the nitrate anion. Inorganica chimica acta, 470, pp. 284-289. Elsevier Sequoia 10.1016/j.ica.2017.05.014

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