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1.

Tailoring chemical bonds to design unconventional glasses.

Raty, Jean-Yves; Bichara, Christophe; Schön, Carl-Friedrich; Gatti, Carlo; Wuttig, Matthias.

Proc Natl Acad Sci U S A ; 121(2): e2316498121, 2024 Jan 09.

Article in English | MEDLINE | ID: mdl-38170754

2.

Carbonyl-Based Redox-Active Compounds as Organic Electrodes for Batteries: Escape from Middle-High Redox Potentials and Further Improvement?

Lambert, Fanny; Danten, Yann; Gatti, Carlo; Bocquet, Bryan; Franco, Alejandro A; Frayret, Christine.

J Phys Chem A ; 127(24): 5104-5119, 2023 Jun 22.

Article in English | MEDLINE | ID: mdl-37285603

3.

Atomic Group Decomposition of Charge Transfer Excitation Global Indexes.

Gatti, Carlo; Danten, Yann; Frayret, Christine.

J Phys Chem A ; 126(36): 6314-6328, 2022 Sep 15.

Article in English | MEDLINE | ID: mdl-36053727

4.

Seeking for Optimal Excited States in Photoinduced Electron-Transfer ProcessesâThe Case Study of Brooker's Merocyanine.

Danten, Yann; Gatti, Carlo; Frayret, Christine.

J Phys Chem A ; 126(51): 9577-9593, 2022 Dec 29.

Article in English | MEDLINE | ID: mdl-36534011

5.

Reply to Lee and Elliott: Changes of bonding upon crystallization in phase change materials.

Raty, Jean-Yves; Bichara, Christophe; Schön, Carl-Friedrich; Gatti, Carlo; Wuttig, Matthias.

Proc Natl Acad Sci U S A ; 121(19): e2405294121, 2024 May 07.

Article in English | MEDLINE | ID: mdl-38683983

6.

Prognostic Role of Circulating Tumor Cells in Metastatic Renal Cell Carcinoma: A Large, Multicenter, Prospective Trial.

Basso, Umberto; Facchinetti, Antonella; Rossi, Elisabetta; Maruzzo, Marco; Conteduca, Vincenza; Aieta, Michele; Massari, Francesco; Fraccon, Anna Paola; Mucciarini, Claudia; Sava, Teodoro; Santoni, Matteo; Pegoraro, Cristina; Durante, Emilia; Nicodemo, Maurizio; Perin, Alessandra; Bearz, Alessandra; Gatti, Carlo; Fiduccia, Pasquale; Diminutto, Alberto; Barile, Carmen; De Giorgi, Ugo; Zamarchi, Rita; Zagonel, Vittorina.

Oncologist ; 26(9): 740-750, 2021 09.

Article in English | MEDLINE | ID: mdl-34077597

7.

Metal-Metal Bond in the Light of Pauling's Rules.

Levi, Elena; Aurbach, Doron; Gatti, Carlo.

Molecules ; 26(2)2021 Jan 08.

Article in English | MEDLINE | ID: mdl-33435625

8.

Redox Potential and Crystal Chemistry of Hexanuclear Cluster Compounds.

Levi, Elena; Aurbach, Doron; Gatti, Carlo.

Molecules ; 26(11)2021 May 21.

Article in English | MEDLINE | ID: mdl-34064027

9.

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

Cossard, Alessandro; Casassa, Silvia; Gatti, Carlo; Desmarais, Jacques K; Erba, Alessandro.

Molecules ; 26(14)2021 Jul 12.

Article in English | MEDLINE | ID: mdl-34299502

10.

Enantioseparation of 5,5'-Dibromo-2,2'-Dichloro-3-Selanyl-4,4'-Bipyridines on Polysaccharide-Based Chiral Stationary Phases: Exploring Chalcogen Bonds in Liquid-Phase Chromatography.

Peluso, Paola; Dessì, Alessandro; Dallocchio, Roberto; Sechi, Barbara; Gatti, Carlo; Chankvetadze, Bezhan; Mamane, Victor; Weiss, Robin; Pale, Patrick; Aubert, Emmanuel; Cossu, Sergio.

Molecules ; 26(1)2021 Jan 04.

Article in English | MEDLINE | ID: mdl-33406753

11.

A revisit of the bond valence model makes it universal.

Levi, Elena; Aurbach, Doron; Gatti, Carlo.

Phys Chem Chem Phys ; 22(25): 13839-13849, 2020 Jul 01.

Article in English | MEDLINE | ID: mdl-32572424

12.

A tool for deciphering the redox potential ranking of organic compounds: a case study of biomass-extracted quinones for sustainable energy.

Lambert, Fanny; Danten, Yann; Gatti, Carlo; Frayret, Christine.

Phys Chem Chem Phys ; 22(36): 20212-20226, 2020 Sep 23.

Article in English | MEDLINE | ID: mdl-32699876

13.

Spin Density Topology.

Bruno, Giovanna; Macetti, Giovanni; Lo Presti, Leonardo; Gatti, Carlo.

Molecules ; 25(15)2020 Aug 02.

Article in English | MEDLINE | ID: mdl-32748885

14.

Factors Impacting σ- and π-Hole Regions as Revealed by the Electrostatic Potential and Its Source Function Reconstruction: The Case of 4,4'-Bipyridine Derivatives.

Gatti, Carlo; Dessì, Alessandro; Dallocchio, Roberto; Mamane, Victor; Cossu, Sergio; Weiss, Robin; Pale, Patrick; Aubert, Emmanuel; Peluso, Paola.

Molecules ; 25(19)2020 Sep 25.

Article in English | MEDLINE | ID: mdl-32992941

15.

From Diagnostic-Therapeutic Pathways to Real-World Data: A Multicenter Prospective Study on Upfront Treatment for EGFR-Positive Non-Small Cell Lung Cancer (MOST Study).

Pasello, Giulia; Vicario, Giovanni; Zustovich, Fable; Oniga, Francesco; Gori, Stefania; Rosetti, Francesco; Bonetti, Andrea; Favaretto, Adolfo; Toso, Silvia; Redelotti, Roberta; Santo, Antonio; Bernardi, Daniele; Giovanis, Petros; Oliani, Cristina; Calvetti, Lorenzo; Gatti, Carlo; Palazzolo, Giovanni; Baretta, Zora; Bortolami, Alberto; Bonanno, Laura; Basso, Marco; Menis, Jessica; Corte, Donatella Da; Frega, Stefano; Guarneri, Valentina; Conte, PierFranco.

Oncologist ; 24(6): e318-e326, 2019 06.

Article in English | MEDLINE | ID: mdl-30846513

16.

Nine questions on energy decomposition analysis.

Andrés, Juan; Ayers, Paul W; Boto, Roberto A; Carbó-Dorca, Ramon; Chermette, Henry; Cioslowski, Jerzy; Contreras-García, Julia; Cooper, David L; Frenking, Gernot; Gatti, Carlo; Heidar-Zadeh, Farnaz; Joubert, Laurent; Martín Pendás, Ángel; Matito, Eduard; Mayer, István; Misquitta, Alston J; Mo, Yirong; Pilmé, Julien; Popelier, Paul L A; Rahm, Martin; Ramos-Cordoba, Eloy; Salvador, Pedro; Schwarz, W H Eugen; Shahbazian, Shant; Silvi, Bernard; Solà, Miquel; Szalewicz, Krzysztof; Tognetti, Vincent; Weinhold, Frank; Zins, Émilie-Laure.

J Comput Chem ; 40(26): 2248-2283, 2019 10 05.

Article in English | MEDLINE | ID: mdl-31251411

17.

Assessing the Strength of Metal-Metal Interactions.

Levi, Elena; Aurbach, Doron; Gatti, Carlo.

Inorg Chem ; 58(11): 7466-7471, 2019 Jun 03.

Article in English | MEDLINE | ID: mdl-31090402

18.

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

Macetti, Giovanni; Lo Presti, Leonardo; Gatti, Carlo.

J Comput Chem ; 39(10): 587-603, 2018 Apr 15.

Article in English | MEDLINE | ID: mdl-29315668

19.

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

Gatti, Carlo; Macetti, Giovanni; Boyd, Russell J; Matta, Chérif F.

J Comput Chem ; 39(18): 1112-1128, 2018 07 05.

Article in English | MEDLINE | ID: mdl-29681131

20.

Probing Cyclic π-Electron Delocalization in an Imidazol-2-ylidene and a Corresponding Imidazolium Salt.

Thomsen, Maja K; Gatti, Carlo; Overgaard, Jacob.

Chemistry ; 24(19): 4973-4981, 2018 Apr 03.

Article in English | MEDLINE | ID: mdl-29364550

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Tailoring chemical bonds to design unconventional glasses.

Carbonyl-Based Redox-Active Compounds as Organic Electrodes for Batteries: Escape from Middle-High Redox Potentials and Further Improvement?

Atomic Group Decomposition of Charge Transfer Excitation Global Indexes.

Seeking for Optimal Excited States in Photoinduced Electron-Transfer ProcessesâThe Case Study of Brooker's Merocyanine.

Reply to Lee and Elliott: Changes of bonding upon crystallization in phase change materials.

Prognostic Role of Circulating Tumor Cells in Metastatic Renal Cell Carcinoma: A Large, Multicenter, Prospective Trial.

Metal-Metal Bond in the Light of Pauling's Rules.

Redox Potential and Crystal Chemistry of Hexanuclear Cluster Compounds.

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

Enantioseparation of 5,5'-Dibromo-2,2'-Dichloro-3-Selanyl-4,4'-Bipyridines on Polysaccharide-Based Chiral Stationary Phases: Exploring Chalcogen Bonds in Liquid-Phase Chromatography.

A revisit of the bond valence model makes it universal.

A tool for deciphering the redox potential ranking of organic compounds: a case study of biomass-extracted quinones for sustainable energy.

Spin Density Topology.

Factors Impacting σ- and π-Hole Regions as Revealed by the Electrostatic Potential and Its Source Function Reconstruction: The Case of 4,4'-Bipyridine Derivatives.

From Diagnostic-Therapeutic Pathways to Real-World Data: A Multicenter Prospective Study on Upfront Treatment for EGFR-Positive Non-Small Cell Lung Cancer (MOST Study).

Nine questions on energy decomposition analysis.

Assessing the Strength of Metal-Metal Interactions.

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

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

Probing Cyclic π-Electron Delocalization in an Imidazol-2-ylidene and a Corresponding Imidazolium Salt.