ModernChargeDensityAnalysis

< Publications 2018 >



P. Macchi

Ferretti, F.; Rimoldi, M.; Ragaini, F.; Macchi, P. Inorg. Chim. Acta, 2018, 470, 284–289 (pdf)
Reaction of arylhydroxylamines with [Pd(Neoc)(NO3)2] (Neoc = neocuproine). Non-innocent behavior of the nitrate anion

Fugel, M.; Jayatilaka, D.; Hupf, E.; Overgaard, J.; Hathwar, V. H.; Macchi, P.; Turner, M. J.; Howard, J. A. K.; Dolomanov, O.; Puschmann, H.; Iversen, B.B.; Bürgi, H.B; Grabowsky, S. IUCrJ, 2018, 5, 32-44 (pdf)
Probing accuracy and precision of Hirshfeld Atom Refinement with HARt interfaced to Olex2

Macchi, P.(*); Ragaini, F.; Casati, N.; Krawczuk, A.; Sironi, A.; J. Comput. Chem., 2018, 39, 581-586. (pdf)
Experimental and theoretical electron density of intermediates in Palladium-Phenanthroline Catalyzed Carbonylation of Amines and Reductive Carbonylation of Nitroarenes

Kubus, M.; Lanza, A.; Scatena, R.; Dos Santos, L.; Wehinger, B.; Casati, N.; Fiolka, C.; Keller, L.; Macchi, P.(*); Ruegg, C.; Krämer, K. Inorg. Chem., 2018, 57, 4934-4943 (pdf) (COVER)
Quasi-2D Heisenberg antiferromagnets [CuX(pyz)2](BF4) with X = Cl and Br

Racioppi, S.; Della Pergola, R.; Colombo, V.; Sironi, A.; Macchi, P.(*) J. Phys. Chem. A, 2018,122, 5004–5015. (pdf)
Electron Density Analysis of Metal Clusters with Semi-Interstitial Main Group Atoms. Chemical Bonding in [Co6X(CO)16]- Species

Genoni, A.; Bucinsky, L.; Claiser, N.; Contreras-Garcia, J.; Dittrich, B.; Dominiak, P. M.; Espinosa, E.;
Gatti, C.; Giannozzi, P.; Gillet, J.-M.; Jayatilaka, D.; Macchi, P.; Madsen, A. Ø.; Massa, L. J.; Matta, C. F.; Merz, K. M.; Nakashima, P. N. H.; Ott, H.; Ryde, U.; Schwarz, K.; Sierka, M.; Grabowsky, S.Chemistry, Eur. J., 2018, in the press
Quantum Crystallography: Current Developments and Future Perspectives

Ernst, M.; Dos Santos, L. H. R.; Krawczuk, A.; Macchi, P.(*) in Understanding Intermolecular Interactions in Crystals, edited by Dr Deepak Chopra, in the press.
Towards a generalized database of atomic polarizabilities

Bürgi, H. B.; Macchi, P.(*) IUCrJ, 2018, in the press.
Comments on ‘Hydrogen bonds in crystalline D-alanine: diffraction and spectroscopic evidence for differences between enantiomers’

Wehinger, B.; Fiolka, C.; Lanza, A.; Scatena, R.; Kubus, M.; Grockowiak, A.; Coniglio, W. A.; Graf, D.; Skoulatos, M.; Chen, J. -H.; Gukelberger, J.; Casati, N.; Zaharko, O.; Macchi, P.; Krämer, K. W.; Tozer, S.; Mudry, C.; Normand, B.; Rüegg, C. Phys. Rev. Lett., 2018, in the press
Giant pressure dependence and dimensionality switching in a metal-organic quantum antiferromagnet

 

 

J. Hauser

 

 

Other publications from group members

 


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