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1 |
Material Type: Livro
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2 |
Material Type: Livro
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Molecular aggregation structure analysis and molecular simulation of crystals and liquidsAngelo GavezzottiOxford Oxford University Press New York 2007Localização: FM - Fac. Medicina (QD921 G242m 2007 )(Acessar) |
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3 |
Material Type: Artigo
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Pillars of crystal engineering: crystal energies and symmetry operatorsGavezzotti, A.CrystEngComm, 2018, Vol.20 (18), p.2511-2518 [Periódico revisado por pares]Cambridge: Royal Society of ChemistryTexto completo disponível |
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4 |
Material Type: Artigo
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Supramolecular Synthons: Validation and Ranking of Intermolecular Interaction EnergiesDunitz, J. D ; Gavezzotti, ACrystal growth & design, 2012-12, Vol.12 (12), p.5873-5877 [Periódico revisado por pares]Washington,DC: American Chemical SocietyTexto completo disponível |
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5 |
Material Type: Artigo
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Calculation of Intermolecular Interaction Energies by Direct Numerical Integration over Electron Densities. 2. An Improved Polarization Model and the Evaluation of Dispersion and Repulsion EnergiesGavezzotti, AThe journal of physical chemistry. B, 2003-03, Vol.107 (10), p.2344-2353 [Periódico revisado por pares]American Chemical SocietyTexto completo disponível |
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6 |
Material Type: Artigo
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Calculation of Intermolecular Interaction Energies by Direct Numerical Integration over Electron Densities. I. Electrostatic and Polarization Energies in Molecular CrystalsGavezzotti, AThe journal of physical chemistry. B, 2002-04, Vol.106 (16), p.4145-4154 [Periódico revisado por pares]American Chemical SocietyTexto completo disponível |
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7 |
Material Type: Artigo
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Proteogenic Amino Acids: Chiral and Racemic Crystal Packings and StabilitiesDunitz, J. D ; Gavezzotti, AThe journal of physical chemistry. B, 2012-06, Vol.116 (23), p.6740-6750 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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8 |
Material Type: Livro
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The Crystalline States of Organic CompoundsGavezzotti, AngeloSan Diego: Elsevier 2021Texto completo disponível |
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9 |
Material Type: Artigo
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Quantitative Ranking of Crystal Packing Modes by Systematic Calculations on Potential Energies and Vibrational Amplitudes of Molecular DimersGavezzotti, AJournal of chemical theory and computation, 2005-09, Vol.1 (5), p.834-840 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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10 |
Material Type: Artigo
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Polymorphic Perversity: Crystal Structures with Many Symmetry-Independent Molecules in the Unit CellBernstein, J ; Dunitz, J. D ; Gavezzotti, ACrystal growth & design, 2008-06, Vol.8 (6), p.2011-2018 [Periódico revisado por pares]Washington,DC: American Chemical SocietyTexto completo disponível |