Gatti C - Search Results

1

The Electron-Density Distribution of UCl₄ and Its Topology from X-ray Diffraction.

Cossard A, Gianopoulos CG, Desmarais JK, Casassa S, Gatti C, Erba A, Pinkerton AA. Cossard A, et al. Among authors: gatti c. Angew Chem Int Ed Engl. 2025 Jan 2;64(1):e202413883. doi: 10.1002/anie.202413883. Epub 2024 Nov 11. Angew Chem Int Ed Engl. 2025. PMID: 39363760 Free PMC article.

2

Topology of the Electron Density and of Its Laplacian from Periodic LCAO Calculations on f-Electron Materials: The Case of Cesium Uranyl Chloride.

Cossard A, Casassa S, Gatti C, Desmarais JK, Erba A. Cossard A, et al. Among authors: gatti c. Molecules. 2021 Jul 12;26(14):4227. doi: 10.3390/molecules26144227. Molecules. 2021. PMID: 34299502 Free PMC article.

3

Charge Density Analysis of Actinide Compounds from the Quantum Theory of Atoms in Molecules and Crystals.

Cossard A, Desmarais JK, Casassa S, Gatti C, Erba A. Cossard A, et al. Among authors: gatti c. J Phys Chem Lett. 2021 Feb 25;12(7):1862-1868. doi: 10.1021/acs.jpclett.1c00100. Epub 2021 Feb 12. J Phys Chem Lett. 2021. PMID: 33577336 Free PMC article.

4

Spin Density Topology.

Bruno G, Macetti G, Lo Presti L, Gatti C. Bruno G, et al. Among authors: gatti c. Molecules. 2020 Aug 2;25(15):3537. doi: 10.3390/molecules25153537. Molecules. 2020. PMID: 32748885 Free PMC article.

5

Spin density accuracy and distribution in azido Cu(II) complexes: A source function analysis.

Macetti G, Lo Presti L, Gatti C. Macetti G, et al. Among authors: gatti c. J Comput Chem. 2018 Apr 15;39(10):587-603. doi: 10.1002/jcc.25150. Epub 2018 Jan 5. J Comput Chem. 2018. PMID: 29315668 Free article.

6

Insights on spin delocalization and spin polarization mechanisms in crystals of azido copper(II) dinuclear complexes through the electron spin density Source Function.

Gatti C, Macetti G, Lo Presti L. Gatti C, et al. Acta Crystallogr B Struct Sci Cryst Eng Mater. 2017 Aug 1;73(Pt 4):565-583. doi: 10.1107/S2052520617008083. Epub 2017 Jul 25. Acta Crystallogr B Struct Sci Cryst Eng Mater. 2017. PMID: 28762968 Free article.

7

A variable-temperature X-ray diffraction and theoretical study of conformational polymorphism in a complex organic molecule (DTC).

Gionda A, Macetti G, Loconte L, Rizzato S, Orlando AM, Gatti C, Lo Presti L. Gionda A, et al. Among authors: gatti c. RSC Adv. 2018 Nov 14;8(67):38445-38454. doi: 10.1039/c8ra08063a. eCollection 2018 Nov 14. RSC Adv. 2018. PMID: 35559076 Free PMC article.

8

An Electron Density Source-Function Study of DNA Base Pairs in Their Neutral and Ionized Ground States^†.

Gatti C, Macetti G, Boyd RJ, Matta CF. Gatti C, et al. J Comput Chem. 2018 Jul 5;39(18):1112-1128. doi: 10.1002/jcc.25222. Epub 2018 Apr 21. J Comput Chem. 2018. PMID: 29681131 Free article.

9

Interstitial Zn atoms do the trick in thermoelectric zinc antimonide, Zn4Sb3: a combined maximum entropy method X-ray electron density and ab initio electronic structure study.

Cargnoni F, Nishibori E, Rabiller P, Bertini L, Snyder GJ, Christensen M, Gatti C, Iversen BB. Cargnoni F, et al. Among authors: gatti c. Chemistry. 2004 Aug 20;10(16):3861-70. doi: 10.1002/chem.200400327. Chemistry. 2004. PMID: 15317052

10

Insights on spin polarization through the spin density source function.

Gatti C, Orlando AM, Lo Presti L. Gatti C, et al. Chem Sci. 2015 Jul 1;6(7):3845-3852. doi: 10.1039/c4sc03988b. Epub 2015 Apr 14. Chem Sci. 2015. PMID: 29218155 Free PMC article.

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