Krawczuk, Anna Malgorzata

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Macchi, Piero; Ragaini, Fabio; Casati, Nicola; Krawczuk, Anna Malgorzata; Sironi, Angelo (2018). Experimental and theoretical electron density of intermediates in palladium-phenanthroline catalyzed carbonylation of amines and reductive carbonylation of nitroarenes. Journal of computational chemistry, 39(10), pp. 581-586. Wiley 10.1002/jcc.25115


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.


Macchi, Piero; Krawczuk, Anna Malgorzata (2015). The polarizability of organometallic bonds. Computational and theoretical chemistry, 1053, pp. 165-172. Elsevier 10.1016/j.comptc.2014.09.032

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


Krawczuk, Anna Malgorzata; Perez, Daniel; Macchi, Piero (2014). PolaBer: a program to calculate and visualize distributed atomic polarizabilities based on electron density partitioning. Journal of applied crystallography, 47(4), pp. 1452-1458. Blackwell 10.1107/S1600576714010838

Krawczuk, Anna Malgorzata; Macchi, Piero (2014). Charge density analysis for crystal engineering. Chemistry Central Journal, 8(1), p. 68. Chemistry Central 10.1186/s13065-014-0068-x


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.

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