Works by Gatti, Carlo
Results: 51
The Electron‐Density Distribution of UCl<sub>4</sub> and Its Topology from X‐ray Diffraction.
- Published in:
- Angewandte Chemie, 2025, v. 137, n. 1, p. 1, doi. 10.1002/ange.202413883
- By:
- Publication type:
- Article
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:
- Publication type:
- Article
Ionic high-pressure form of elemental boron.
- Published in:
- 2009
- By:
- Publication type:
- Correction Notice
Ionic high-pressure form of elemental boron.
- Published in:
- 2009
- By:
- Publication type:
- Letter
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:
- Publication type:
- Article
The Electron‐Density Distribution of UCl<sub>4</sub> and Its Topology from X‐ray Diffraction.
- Published in:
- Angewandte Chemie International Edition, 2025, v. 64, n. 1, p. 1, doi. 10.1002/anie.202413883
- By:
- 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:
- Publication type:
- Article
An Electron Density Source‐Function Study of DNA Base Pairs in Their Neutral and Ionized Ground States<sup>†</sup>.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 18, p. 1112, doi. 10.1002/jcc.25222
- By:
- 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:
- 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:
- 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:
- Publication type:
- Article
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:
- 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:
- 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 A<sub>8</sub>Ga<sub>16</sub>Ge<sub>30</sub> (A=Sr, Ba).
- Published in:
- Chemistry - A European Journal, 2003, v. 9, n. 18, p. 4556, doi. 10.1002/chem.200304837
- By:
- 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:
- 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:
- 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:
- 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:
- 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:
- 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:
- Publication type:
- Article
The Neglected Nuclei.
- Published in:
- Molecules, 2021, v. 26, n. 10, p. 2982, doi. 10.3390/molecules26102982
- By:
- Publication type:
- Article
Understanding Topological Insulators in Real Space.
- Published in:
- Molecules, 2021, v. 26, n. 10, p. 2965, doi. 10.3390/molecules26102965
- By:
- 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:
- 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:
- Publication type:
- Article
Was Pauling Mistaken about Metals?
- Published in:
- Molecules, 2021, v. 26, n. 7, p. 1930, doi. 10.3390/molecules26071930
- By:
- 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:
- 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:
- 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:
- 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:
- 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:
- 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:
- 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:
- 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:
- Publication type:
- Article
Spin Density Topology.
- Published in:
- Molecules, 2020, v. 25, n. 15, p. 3537, doi. 10.3390/molecules25153537
- By:
- 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:
- 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:
- 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:
- 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:
- 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:
- Publication type:
- Article
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:
- 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:
- 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:
- 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:
- 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:
- 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:
- 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:
- 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:
- 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:
- 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:
- 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:
- Publication type:
- Article