Works by Gatti, Carlo

Results: 51

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

Published in:

Oncologist, 2021, v. 26, n. 9, p. 740, doi. 10.1002/onco.13842

By:

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

Publication type:

Article

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).

Published in:

Oncologist, 2019, v. 24, n. 6, p. e318, doi. 10.1634/theoncologist.2018-0712

By:

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

Publication type:

Article

Stability of xenon oxides at high pressures.

Published in:

Nature Chemistry, 2013, v. 5, n. 1, p. 61, doi. 10.1038/nchem.1497

By:

Zhu, Qiang;
Jung, Daniel Y.;
Oganov, Artem R.;
Glass, Colin W.;
Gatti, Carlo;
Lyakhov, Andriy O.

Publication type:

Article

Ionic high-pressure form of elemental boron.

Published in:

2009

By:

Oganov, Artem R.;
Chen, Jiuhua;
Gatti, Carlo;
Ma, Yanzhang;
Ma, Yanming;
Glass, Colin W.;
Liu, Zhenxian;
Yu, Tony;
Kurakevych, Oleksandr O.;
Solozhenko, Vladimir L.

Publication type:

Letter

How to Identify Lone Pairs, Van der Waals Gaps, and Metavalent Bonding Using Charge and Pair Density Methods: From Elemental Chalcogens to Lead Chalcogenides and Phase‐Change Materials.

Published in:

Physica Status Solidi - Rapid Research Letters, 2021, v. 15, n. 11, p. 1, doi. 10.1002/pssr.202000534

By:

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

Publication type:

Article

Halide Perovskites: Advanced Photovoltaic Materials Empowered by a Unique Bonding Mechanism.

Published in:

Advanced Functional Materials, 2022, v. 32, n. 2, p. 1, doi. 10.1002/adfm.202110166

By:

Wuttig, Matthias;
Schön, Carl‐Friedrich;
Schumacher, Mathias;
Robertson, John;
Golub, Pavlo;
Bousquet, Eric;
Gatti, Carlo;
Raty, Jean‐Yves

Publication type:

Article

Ultrasonographic Prediction of the Presence and Severity of Esophageal Varices in Children.

Published in:

Journal of Pediatric Gastroenterology & Nutrition, 1989, v. 9, n. 4, p. 431

By:

Giacomo, Costantino De;
Tomasi, Gabriele;
Gatti, Carlo;
Rosa, Giulia;
Maggiore, Giuseppe

Publication type:

Article

Looking at local classical and quantum forces in stable crystals using multipole‐model refined electron densities and orbital‐free DFT approximations.

Published in:

Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2020, v. 76, n. 5, p. 724, doi. 10.1107/S2052520620012895

By:

Gatti, Carlo

Publication type:

Article

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

Published in:

Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2017, v. 73, n. 4, p. 565, doi. 10.1107/S2052520617008083

By:

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

Publication type:

Article

Source Function applied to experimental densities reveals subtle electron-delocalization effects and appraises their transferability properties in crystals.

Published in:

Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2016, v. 72, n. 2, p. 180, doi. 10.1107/S2052520616003450

By:

Gatti, Carlo;
Saleh, Gabriele;
Lo Presti, Leonardo

Publication type:

Article

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

Published in:

Angewandte Chemie, 2025, v. 137, n. 1, p. 1, doi. 10.1002/ange.202413883

By:

Cossard, Alessandro;
Gianopoulos, Christopher G.;
Desmarais, Jacques K.;
Casassa, Silvia;
Gatti, Carlo;
Erba, Alessandro;
Pinkerton, A. Alan

Publication type:

Article

NCImilano: an electron-density-based code for the study of noncovalent interactions.

Published in:

Journal of Applied Crystallography, 2013, v. 46, n. 5, p. 1513, doi. 10.1107/S0021889813020098

By:

Saleh, Gabriele;
Lo Presti, Leonardo;
Gatti, Carlo;
Ceresoli, Davide

Publication type:

Article

Modeling environmental effects on charge density distributions in polar organometallics: Validation of embedded cluster models for the methyl lithium crystal.

Published in:

Journal of Computational Chemistry, 2010, v. 31, n. 14, p. 2568, doi. 10.1002/jcc.21548

By:

GÖTZ, KATHRIN;
MEIER, FLORIAN;
GATTI, CARLO;
BUROW, ASBJÖRN M.;
SIERKA, MAREK;
SAUER, JOACHIM;
KAUPP, MARTIN

Publication type:

Article

Chemical information from the source function.

Published in:

Journal of Computational Chemistry, 2003, v. 24, n. 4, p. 422, doi. 10.1002/jcc.10205

By:

Gatti, Carlo;
Cargnoni, Fausto;
Bertini, Luca

Publication type:

Article

Frontispiece: Quantum Crystallography: Current Developments and Future Perspectives.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 43, p. 1, doi. 10.1002/chem.201884361

By:

Genoni, Alessandro;
Bučinský, Lukas;
Claiser, Nicolas;
Contreras‐García, Julia;
Dittrich, Birger;
Dominiak, Paulina M.;
Espinosa, Enrique;
Gatti, Carlo;
Giannozzi, Paolo;
Gillet, Jean‐Michel;
Jayatilaka, Dylan;
Macchi, Piero;
Madsen, Anders Ø.;
Massa, Lou;
Matta, Chérif F.;
Merz, Jr., Kenneth M.;
Nakashima, Philip N. H.;
Ott, Holger;
Ryde, Ulf;
Schwarz, Karlheinz

Publication type:

Article

Quantum Crystallography: Current Developments and Future Perspectives.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 43, p. 10881, doi. 10.1002/chem.201705952

By:

Genoni, Alessandro;
Bučinský, Lukas;
Claiser, Nicolas;
Contreras‐García, Julia;
Dittrich, Birger;
Dominiak, Paulina M.;
Espinosa, Enrique;
Gatti, Carlo;
Giannozzi, Paolo;
Gillet, Jean‐Michel;
Jayatilaka, Dylan;
Macchi, Piero;
Madsen, Anders Ø.;
Massa, Lou;
Matta, Chérif F.;
Merz, Jr., Kenneth M.;
Nakashima, Philip N. H.;
Ott, Holger;
Ryde, Ulf;
Schwarz, Karlheinz

Publication type:

Article

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

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 19, p. 4973, doi. 10.1002/chem.201800014

By:

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

Publication type:

Article

High-Temperature Crystal Structure and Chemical Bonding in Thermoelectric Germanium Selenide (GeSe).

Published in:

Chemistry - A European Journal, 2017, v. 23, n. 28, p. 6888, doi. 10.1002/chem.201700536

By:

Sist, Mattia;
Gatti, Carlo;
Nørby, Peter;
Cenedese, Simone;
Kasai, Hidetaka;
Kato, Kenichi;
Iversen, Bo B.

Publication type:

Article

A Quantum‐Mechanical Map for Bonding and Properties in Solids.

Published in:

Advanced Materials, 2019, v. 31, n. 3, p. N.PAG, doi. 10.1002/adma.201806280

By:

Raty, Jean‐Yves;
Schumacher, Mathias;
Golub, Pavlo;
Deringer, Volker L.;
Gatti, Carlo;
Wuttig, Matthias

Publication type:

Article

Revealing Non-covalent Interactions in Molecular Crystals through Their Experimental Electron Densities.

Published in:

Chemistry - A European Journal, 2012, v. 18, n. 48, p. 15523, doi. 10.1002/chem.201201290

By:

Saleh, Gabriele;
Gatti, Carlo;
Lo Presti, Leonardo;
Contreras-García, Julia

Publication type:

Article

Nine questions on energy decomposition analysis.

Published in:

Journal of Computational Chemistry, 2019, v. 40, n. 26, p. 2248, doi. 10.1002/jcc.26003

By:

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

Publication type:

Article

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

Published in:

Journal of Computational Chemistry, 2018, v. 39, n. 18, p. 1112, doi. 10.1002/jcc.25222

By:

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

Publication type:

Article

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

Published in:

Journal of Computational Chemistry, 2018, v. 39, n. 10, p. 587, doi. 10.1002/jcc.25150

By:

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

Publication type:

Article

Revisiting the Nature of Chemical Bonding in Chalcogenides to Explain and Design their Properties.

Published in:

Advanced Materials, 2023, v. 35, n. 20, p. 1, doi. 10.1002/adma.202208485

By:

Wuttig, Matthias;
Schön, Carl‐Friedrich;
Lötfering, Jakob;
Golub, Pavlo;
Gatti, Carlo;
Raty, Jean‐Yves

Publication type:

Article

Metavalent or Hypervalent Bonding: Is There a Chance for Reconciliation?

Published in:

Advanced Science, 2024, v. 11, n. 6, p. 1, doi. 10.1002/advs.202308578

By:

Wuttig, Matthias;
Schön, Carl‐Friedrich;
Kim, Dasol;
Golub, Pavlo;
Gatti, Carlo;
Raty, Jean‐Yves;
Kooi, Bart J.;
Pendás, Ángel Martín;
Arora, Raagya;
Waghmare, Umesh

Publication type:

Article

Generalized self-consistent valence bond method for ground and excited potential energy surfaces.

Published in:

Molecular Physics, 1980, v. 41, n. 6, p. 1259, doi. 10.1080/00268978000103531

By:

Gatti, Carlo;
Polezzo, Stefano;
Raimondi, Mario;
Simonetta, Massimo

Publication type:

Article

Pseudopotential calculations on hydrogen bonded systems : H 2 O, CH 3 OH and HCOOH dimers.

Published in:

Molecular Physics, 1979, v. 38, n. 6, p. 1865, doi. 10.1080/00268977900102911

By:

Gatti, Carlo;
Pacchioni, Gianfranco;
Fantucci, Piercarlo;
Polezzo, Stefano;
Valenti, Venanzio

Publication type:

Article

Bond Paths as Privileged Exchange Channels.

Published in:

Chemistry - A European Journal, 2007, v. 13, n. 33, p. 9362, doi. 10.1002/chem.200700408

By:

Pendás, A. Martín;
Francisco, Evelio;
Blanco, Miguel A.;
Gatti, Carlo

Publication type:

Article

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.

Published in:

Chemistry - A European Journal, 2004, v. 10, n. 16, p. 3861, doi. 10.1002/chem.200400327

By:

Fausto Cargnoni;
Eiji Nishibori;
Philippe Rabiller;
Luca Bertini;
G. Jeffrey Snyder;
Mogens Christensen;
Carlo Gatti;
Bo Brummerstadt Iversen

Publication type:

Article

Guest-Framework Interaction in Type I Inorganic Clathrates with Promising Thermoelectric Properties: On the Ionic versus Neutral Nature of the Alkaline-Earth Metal Guest A in A8Ga16Ge30 (A=Sr, Ba).

Published in:

Chemistry - A European Journal, 2003, v. 9, n. 18, p. 4556, doi. 10.1002/chem.200304837

By:

Gatti, Carlo;
Bertini, Luca;
Blake, Nick P.;
Iversen, Bo B.

Publication type:

Article

Ionic high-pressure form of elemental boron.

Published in:

2009

By:

Oganov, Artem R.;
Chen, Jiuhua;
Gatti, Carlo;
Ma, Yanzhang;
Ma, Yanming;
Glass, Colin W.;
Liu, Zhenxian;
Yu, Tony;
Kurakevych, Oleksandr O.;
Solozhenko, Vladimir L.

Publication type:

Correction Notice

Chemical insight into electron density and wave functions: software developments and applications to crystals, molecular complexes and materials science.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2007, v. 117, n. 5/6, p. 847, doi. 10.1007/s00214-006-0208-z

By:

Bertini, Luca;
Cargnoni, Fausto;
Gatti, Carlo

Publication type:

Article

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

Published in:

Molecules, 2021, v. 26, n. 14, p. 4227, doi. 10.3390/molecules26144227

By:

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

Publication type:

Article

Redox Potential and Crystal Chemistry of Hexanuclear Cluster Compounds.

Published in:

Molecules, 2021, v. 26, n. 11, p. 3069, doi. 10.3390/molecules26113069

By:

Levi, Elena;
Aurbach, Doron;
Gatti, Carlo

Publication type:

Article

Modeling Adsorption and Optical Properties for the Design of CO 2 Photocatalytic Metal-Organic Frameworks.

Published in:

Molecules, 2021, v. 26, n. 10, p. 3060, doi. 10.3390/molecules26103060

By:

Chacón, Priscila;
Hernández-Lima, Joseelyne G.;
Bazán-Jiménez, Adán;
García-Revilla, Marco A.;
Gatti, Carlo;
Cooper, David L.;
Kohout, Miroslav;
Kuznetsov, Maxim L.

Publication type:

Article

The Neglected Nuclei.

Published in:

Molecules, 2021, v. 26, n. 10, p. 2982, doi. 10.3390/molecules26102982

By:

Politzer, Peter;
Murray, Jane S.;
Gatti, Carlo;
Kuznetsov, Maxim L.;
Cooper, David L.;
Kohout, Miroslav

Publication type:

Article

Understanding Topological Insulators in Real Space.

Published in:

Molecules, 2021, v. 26, n. 10, p. 2965, doi. 10.3390/molecules26102965

By:

Martín Pendás, Angel;
Muñoz, Francisco;
Cardenas, Carlos;
Contreras-García, Julia;
Gatti, Carlo;
Kuznetsov, Maxim L.;
Cooper, David L.;
Kohout, Miroslav

Publication type:

Article

Multiconfiguration Pair-Density Functional Theory for Transition Metal Silicide Bond Dissociation Energies, Bond Lengths, and State Orderings.

Published in:

Molecules, 2021, v. 26, n. 10, p. 2881, doi. 10.3390/molecules26102881

By:

Oakley, Meagan S.;
Gagliardi, Laura;
Truhlar, Donald G.;
Gatti, Carlo;
Kuznetsov, Maxim L.;
Cooper, David L.;
Kohout, Miroslav

Publication type:

Article

Predicting Accurate Lead Structures for Screening Molecular Libraries: A Quantum Crystallographic Approach.

Published in:

Molecules, 2021, v. 26, n. 9, p. 2605, doi. 10.3390/molecules26092605

By:

Mandal, Suman Kumar;
Munshi, Parthapratim;
Gatti, Carlo;
Cooper, David L.;
Kohout, Miroslav;
Kuznetsov, Maxim L.

Publication type:

Article

Was Pauling Mistaken about Metals?

Published in:

Molecules, 2021, v. 26, n. 7, p. 1930, doi. 10.3390/molecules26071930

By:

Savin, Andreas;
Kohout, Miroslav;
Gatti, Carlo;
Cooper, David L.;
Kuznetsov, Maxim L.

Publication type:

Article

Nature of the Hydrogen Bond Enhanced Halogen Bond.

Published in:

Molecules, 2021, v. 26, n. 7, p. 1885, doi. 10.3390/molecules26071885

By:

Portela, Susana;
Fernández, Israel;
Gatti, Carlo

Publication type:

Article

Deformation Potentials: Towards a Systematic Way beyond the Atomic Fragment Approach in Orbital-Free Density Functional Theory.

Published in:

Molecules, 2021, v. 26, n. 6, p. 1539, doi. 10.3390/molecules26061539

By:

Finzel, Kati;
Gatti, Carlo

Publication type:

Article

A Valence-Bond-Based Multiconfigurational Density Functional Theory: The λ-DFVB Method Revisited.

Published in:

Molecules, 2021, v. 26, n. 3, p. 521, doi. 10.3390/molecules26030521

By:

Zheng, Peikun;
Ji, Chenru;
Ying, Fuming;
Su, Peifeng;
Wu, Wei;
Gatti, Carlo;
Cooper, David L.;
Kohout, Miroslav;
Kuznetsov, Maxim L.

Publication type:

Article

Comparison of Bifurcated Halogen with Hydrogen Bonds.

Published in:

Molecules, 2021, v. 26, n. 2, p. 350, doi. 10.3390/molecules26020350

By:

Scheiner, Steve;
Gatti, Carlo;
Cooper, David L.;
Kohout, Miroslav;
Kuznetsov, Maxim L.

Publication type:

Article

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

Published in:

Molecules, 2021, v. 26, n. 2, p. 304, doi. 10.3390/molecules26020304

By:

Levi, Elena;
Aurbach, Doron;
Gatti, Carlo;
Alikhani, M. Esmail

Publication type:

Article

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.

Published in:

Molecules, 2021, v. 26, n. 1, p. 221, doi. 10.3390/molecules26010221

By:

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

Publication type:

Article

Quantum Chemical Investigation of Polychlorinated Dibenzodioxins, Dibenzofurans and Biphenyls: Relative Stability and Planarity Analysis.

Published in:

Molecules, 2020, v. 25, n. 23, p. 5697, doi. 10.3390/molecules25235697

By:

Datta, Sopanant;
Limpanuparb, Taweetham;
Gatti, Carlo

Publication type:

Article

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.

Published in:

Molecules, 2020, v. 25, n. 19, p. 4409, doi. 10.3390/molecules25194409

By:

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

Publication type:

Article

Spin Density Topology.

Published in:

Molecules, 2020, v. 25, n. 15, p. 3537, doi. 10.3390/molecules25153537

By:

Bruno, Giovanna;
Macetti, Giovanni;
Lo Presti, Leonardo;
Gatti, Carlo;
Pendás, Ángel Martín

Publication type:

Article

Rate enhancement of 1,3-dipolar cycloaddition of N-methylindole: the singular role of Grignard reagents.

Published in:

Journal of Physical Organic Chemistry, 1998, v. 11, n. 7, p. 455, doi. 10.1002/(SICI)1099-1395(199807)11:7<455::AID-POC998>3.0.CO;2-5

By:

Benincori, Tiziana;
Sannicolò, Franco;
Trimarco, Licia;
Bonati, Laura;
Grandi, Stefania;
Pitea, Demetrio;
Gatti, Carlo

Publication type:

Article