ModernChargeDensityAnalysis

< Publications 2017 >



P. Macchi

Genoni, A.; Dos Santos, L.; Meyer, B.; Macchi, P.(*) IUCrJ 2017, 4, 136-146 (pdf)
Can X-ray constrained Hartree–Fock wavefunctions retrieve electron correlation?

Brambleby, J.; Manson, J. L.; Goddard, P. A.; Stone, M. B.; Johnson, R. D.; Manuel, P.; Villa, J. A.; Brown, C. M.; Lu, H.; Chikara, S.; Zapf, V.; Lapidus, S. H.; Scatena, R.; Macchi, P.; Chen, Y-S.; Wu, L.-C.; Singleton, J. Phys. Rev. B., 2017, 95, 134435 (pdf)
Combining microscopic and macroscopic probes to untangle the single-ion anisotropy and exchange energies in an S=1 quantum antiferromagnet

Macchi, P.(*) Acta Crystallographica 2017B73, 330-336 (pdf)
The future of topological analysis in experimental charge-density research

Casati, N., Genoni, A., Meyer, B. Krawczuk, A. Macchi, P.(*) Acta Crystallographica 2017B73, 584–597. (pdf)
Exploring charge density analysis in crystals at high pressure. Data collection, data analysis and advanced modelling

Della Pergola,R.; Sironi,A.; Colombo, V.; Garlaschelli, L.; Racioppi, S.; Sironi, A.; Macchi, P.(*) J. Organomet. Chem. 2017 in the press
Periodical trends in [Co6E(CO)16]- clusters: structural, synthetic and energy changes produced by substitution of P with As.

Ferretti, F.; Rimoldi, M.; Ragaini, F.; Macchi, P. Inorg. Chim. Acta, 2017 in the press
Reaction of arylhydroxylamines with [Pd(Neoc)(NO3)2] (Neoc = neocuproine). Non-innocent behavior of the nitrate anion

 

 

J. Hauser

 

 

Other publications from group members

 


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