Publications by authors named "Angelo Gavezzotti"

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Dynamic simulation of orientational disorder in organic crystals: methyl groups, trifluoromethyl groups and whole molecules.
Angelo Gavezzotti

Acta Crystallogr B Struct Sci Cryst Eng Mater· June 2022

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A quantitative measure of halogen bond activation in cocrystallization.
Lucia Carlucci, Angelo Gavezzotti

Phys Chem Chem Phys· July 2017

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Are racemic crystals favored over homochiral crystals by higher stability or by kinetics? Insights from comparative studies of crystalline stereoisomers.
Angelo Gavezzotti, Silvia Rizzato

J Org Chem· June 2014

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Computational studies of crystal structure and bonding.
Angelo Gavezzotti

Top Curr Chem· March 2012

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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

J Phys Chem A· October 2011

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The lines-of-force landscape of interactions between molecules in crystals; cohesive versus tolerant and 'collateral damage' contact.
Angelo Gavezzotti

Acta Crystallogr B· June 2010

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A structural and spectroscopic investigation of the hydrochlorination of 4,4'-methylenedianiline.
Emma K Gibson, John M Winfield, Kenneth W Muir, Robert H Carr, Archie Eaglesham, Angelo Gavezzotti

Phys Chem Chem Phys· April 2010

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How molecules stick together in organic crystals: weak intermolecular interactions.
Jack D Dunitz, Angelo Gavezzotti

Chem Soc Rev· September 2009

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A structural and spectroscopic investigation of the hydrochlorination of 4-benzylaniline: the interaction of anhydrous hydrogen chloride with chlorobenzene.
Emma K Gibson, John M Winfield, Kenneth W Muir, Robert H Carr, Archie Eaglesham, Angelo Gavezzotti

Phys Chem Chem Phys· January 2009

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Coulombic and dispersive factors in the molecular recognition of peptides: PIXEL calculations on two NNQQ (Asn-Asn-Gln-Gln) crystal polymorphs.
Angelo Gavezzotti

Acta Crystallogr D Biol Crystallogr· August 2008

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Hydrogen bond strength and bond geometry in cyclic dimers of crystalline carboxylic acids.
Angelo Gavezzotti

Acta Crystallogr B· June 2008

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Synthesis, X-ray diffraction and computational study of the crystal packing of polycyclic hydrocarbons featuring aromatic and perfluoroaromatic rings condensed in the same molecule: 1,2,3,4-tetrafluoronaphthalene, -anthracene and -phenanthrene.
Franco Cozzi, Sergio Bacchi, Giuseppe Filippini, Tullio Pilati, Angelo Gavezzotti

Chemistry· October 2007

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A solid-state chemist's view of the crystal polymorphism of organic compounds.
Angelo Gavezzotti

J Pharm Sci· September 2007

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Computer simulations and analysis of structural and energetic features of some crystalline energetic materials.
Craig J Eckhardt, Angelo Gavezzotti

J Phys Chem B· April 2007

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X-ray diffraction and theoretical studies for the quantitative assessment of intermolecular arene-perfluoroarene stacking interactions.
Sergio Bacchi, Maurizio Benaglia, Franco Cozzi, Francesco Demartin, Giuseppe Filippini, Angelo Gavezzotti

Chemistry· April 2006

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Molecular recognition in organic crystals: directed intermolecular bonds or nonlocalized bonding?
Jack D Dunitz, Angelo Gavezzotti

Angew Chem Int Ed Engl· March 2005

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Molecular recognition and crystal energy landscapes: an X-ray and computational study of caffeine and other methylxanthines.
Lucia Carlucci, Angelo Gavezzotti

Chemistry· December 2004

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X-ray diffraction and packing analysis on vintage crystals: Wilhelm Koerner's nitrobenzene derivatives from the School of Agricultural Sciences in Milano.
Francesco Demartin, Giuseppe Filippini, Angelo Gavezzotti, Silvia Rizzato

Acta Crystallogr B· October 2004

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Crystal structure prediction of small organic molecules: a second blind test.
W D Sam Motherwell, Herman L Ammon, Jack D Dunitz, Alexander Dzyabchenko, Peter Erk, Angelo Gavezzotti

Acta Crystallogr B· August 2002

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X-ray diffraction and molecular simulation study of the crystalline and liquid states of succinic anhydride.
Valeria Ferretti, Paola Gilli, Angelo Gavezzotti

Chemistry· April 2002

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