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Angelo Gavezzotti

Angelo Gavezzotti

D-Index & Metrics

Chemistry

D-Index
58
Citations
14917
World Ranking
10486
National Ranking
318

Overview

Angelo Gavezzotti is affiliated with the University of Milan in Italy and has a substantial body of research primarily in chemistry and materials science. Their work bridges theoretical, physical, and organic chemistry, often focusing on crystallography and molecular interactions within organic condensed matter.

Their research spans several specialized fields including Physical and Theoretical Chemistry, Materials Chemistry, and Organic Chemistry. There is notable engagement in sub-disciplines such as Atomic and Molecular Physics, and Optics, and spectroscopy. Key topics covered throughout their publications include Crystallography and molecular interactions, Chemical Thermodynamics and Molecular Structure, Crystallization and Solubility Studies, Advanced Chemical Physics Studies, Molecular spectroscopy and chirality, Computational Drug Discovery Methods, and Spectroscopy and Quantum Chemical Studies.

Angelo Gavezzotti's recent research outputs include:

  • Mining the Cambridge Database for theoretical chemistry. Mi-LJC: a new set of Lennard-Jones-Coulomb atom-atom potentials for the computer simulation of organic condensed matter, 2020, CrystEngComm
  • Molecular dynamics simulation of organic materials: structure, potentials and the MiCMoS computer platform, 2021, CrystEngComm
  • Molecular Dynamics Simulation of Molecular Crystals under Anisotropic Compression: Bulk and Directional Effects in Anthracene and Paracetamol, 2020, Crystal Growth & Design
  • Dynamic simulation of orientational disorder in organic crystals: methyl groups, trifluoromethyl groups and whole molecules, 2022, Acta Crystallographica Section B Structural Science Crystal Engineering and Materials
  • Kinetic-Bias Model for the Dynamic Simulation of Molecular Aggregation. The Liquid, Solute, Solvated-Nanodrop, and Solvated-Nanocrystal States of Benzoic Acid, 2022, Crystal Growth & Design

Frequent collaborators include Leonardo Lo Presti, Silvia Rizzato, and Massimo Moret.

The primary publication venues associated with their work are:

  • CrystEngComm
  • Crystal Growth & Design
  • Acta Crystallographica Section B Structural Science Crystal Engineering and Materials
  • New Journal of Chemistry
  • Helvetica Chimica Acta

Best Publications

  • Are Crystal Structures Predictable

    Angelo Gavezzotti

  • THE CALCULATION OF MOLECULAR VOLUMES AND THE USE OF VOLUME ANALYSIS IN THE INVESTIGATION OF STRUCTURED MEDIA AND OF SOLID-STATE ORGANIC REACTIVITY

    A. Gavezzotti

  • Crystal structures of polynuclear aromatic hydrocarbons. Classification, rationalization and prediction from molecular structure

    G. R. Desiraju;A. Gavezzotti

  • A test of crystal structure prediction of small organic molecules

    J.P.M. Lommerse;W.D.S. Motherwell;H.L. Ammon;J.D. Dunitz

  • Crystal structure prediction of small organic molecules: a second blind test

    W.D.S. Motherwell;H.L. Ammon;J.D. Dunitz;A. Dzyabchenko

  • Calculation of Intermolecular Interaction Energies by Direct Numerical Integration over Electron Densities. 2. An Improved Polarization Model and the Evaluation of Dispersion and Repulsion Energies

    A. Gavezzotti

  • Efficient computer modeling of organic materials. The atom–atom, Coulomb–London–Pauli (AA-CLP) model for intermolecular electrostatic-polarization, dispersion and repulsion energies

    Angelo Gavezzotti

  • Molecular recognition in organic crystals : Directed intermolecular bonds or nonlocalized bonding?

    Jack D. Dunitz;Angelo Gavezzotti

  • Geometry of the Intermolecular X-H.cntdot..cntdot..cntdot.Y (X, Y = N, O) Hydrogen Bond and the Calibration of Empirical Hydrogen-Bond Potentials

    Unknown

  • Polymorphic Forms of Organic Crystals at Room Conditions: Thermodynamic and Structural Implications

    A. Gavezzotti;G. Filippini

  • Calculation of Intermolecular Interaction Energies by Direct Numerical Integration over Electron Densities. I. Electrostatic and Polarization Energies in Molecular Crystals

    A. Gavezzotti

  • From molecular to crystal structure; polynuclear aromatic hydrocarbons

    Gautam R. Desiraju;A. Gavezzotti

  • How molecules stick together in organic crystals: weak intermolecular interactions

    Jack D. Dunitz;Angelo Gavezzotti

  • Generation of possible crystal structures from molecular structure for low-polarity organic compounds

    A. Gavezzotti

  • Calculation of lattice energies of organic crystals: the PIXEL integration method in comparison with more traditional methods

    Angelo Gavezzotti

  • Molecular Aggregation: Structure Analysis and Molecular Simulation of Crystals and Liquids

    Angelo Gavezzotti

  • Supramolecular Synthons: Validation and Ranking of Intermolecular Interaction Energies

    J. D. Dunitz;A. Gavezzotti

  • Non-conventional bonding between organic molecules. The "halogen bond" in crystalline systems

    Angelo Gavezzotti

  • Intermolecular interaction energies in molecular crystals: comparison and agreement of localized Møller-Plesset 2, dispersion-corrected density functional, and classical empirical two-body calculations.

    Lorenzo Maschio;Bartolomeo Civalleri;Piero Ugliengo;Angelo Gavezzotti

  • Crystal chemistry in organic solids

    A. Gavezzotti;M. Simonetta

  • A systematic analysis of packing energies and other packing parameters for fused‐ring aromatic hydrocarbons

    A. Gavezzotti;G. R. Desiraju

Frequent Co-Authors

Jack D. Dunitz
Jack D. Dunitz ETH Zurich
Sarah L. Price
Sarah L. Price University College London
Zdenek Havlas
Zdenek Havlas Czech Academy of Sciences
Fabrizia Grepioni
Fabrizia Grepioni University of Bologna
Francesco Demartin
Francesco Demartin University of Milan
Christian Näther
Christian Näther Kiel University
Hans Bock
Hans Bock Goethe University Frankfurt
Dario Braga
Dario Braga University of Bologna
Gautam R. Desiraju
Gautam R. Desiraju Indian Institute of Science
Lucia Carlucci
Lucia Carlucci University of Milan

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