Are crystal structures predictable? A Gavezzotti Accounts of chemical research 27 (10), 309-314, 1994 | 1192 | 1994 |
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 Journal of the American Chemical Society 105 (16), 5220-5225, 1983 | 788 | 1983 |
Crystal structures of polynuclear aromatic hydrocarbons. Classification, rationalization and prediction from molecular structure GR Desiraju, A Gavezzotti Acta Crystallographica Section B: Structural Science 45 (5), 473-482, 1989 | 694 | 1989 |
A test of crystal structure prediction of small organic molecules JPM Lommerse, WDS Motherwell, HL Ammon, JD Dunitz, A Gavezzotti, ... Acta Crystallographica Section B: Structural Science 56 (4), 697-714, 2000 | 619 | 2000 |
Crystal structure prediction of small organic molecules: a second blind test WDS Motherwell, HL Ammon, JD Dunitz, A Dzyabchenko, P Erk, ... Acta Crystallographica Section B: Structural Science 58 (4), 647-661, 2002 | 538 | 2002 |
Geometry of the intermolecular XH. cntdot.. cntdot.. cntdot. Y (X, Y= N, O) hydrogen bond and the calibration of empirical hydrogen-bond potentials A Gavezzotti, G Filippini The Journal of Physical Chemistry 98 (18), 4831-4837, 1994 | 483 | 1994 |
Molecular recognition in organic crystals: directed intermolecular bonds or nonlocalized bonding? JD Dunitz, A Gavezzotti Angewandte Chemie International Edition 44 (12), 1766-1787, 2005 | 473 | 2005 |
Calculation of intermolecular interaction energies by direct numerical integration over electron densities. 2. An improved polarization model and the evaluation of dispersion … A Gavezzotti The Journal of Physical Chemistry B 107 (10), 2344-2353, 2003 | 400 | 2003 |
Polymorphic forms of organic crystals at room conditions: thermodynamic and structural implications A Gavezzotti, G Filippini Journal of the American Chemical Society 117 (49), 12299-12305, 1995 | 376 | 1995 |
Efficient computer modeling of organic materials. The atom–atom, Coulomb–London–Pauli (AA-CLP) model for intermolecular electrostatic-polarization, dispersion and repulsion … A Gavezzotti New Journal of Chemistry 35 (7), 1360-1368, 2011 | 371 | 2011 |
From molecular to crystal structure; polynuclear aromatic hydrocarbons GR Desiraju, A Gavezzotti Journal of the Chemical Society, Chemical Communications, 621-623, 1989 | 340 | 1989 |
Calculation of intermolecular interaction energies by direct numerical integration over electron densities. I. Electrostatic and polarization energies in molecular crystals A Gavezzotti The Journal of Physical Chemistry B 106 (16), 4145-4154, 2002 | 338 | 2002 |
How molecules stick together in organic crystals: weak intermolecular interactions JD Dunitz, A Gavezzotti Chemical Society Reviews 38 (9), 2622-2633, 2009 | 314 | 2009 |
Molecular aggregation: structure analysis and molecular simulation of crystals and liquids A Gavezzotti OUP Oxford, 2006 | 297 | 2006 |
Empirical intermolecular potentials for organic crystals: the6-exp'approximation revisited G Filippini, A Gavezzotti Acta Crystallographica Section B: Structural Science 49 (5), 868-880, 1993 | 297 | 1993 |
Generation of possible crystal structures from molecular structure for low-polarity organic compounds A Gavezzotti Journal of the American Chemical Society 113 (12), 4622-4629, 1991 | 279 | 1991 |
Non-conventional bonding between organic molecules. The ‘halogen bond’in crystalline systems A Gavezzotti Molecular Physics 106 (12-13), 1473-1485, 2008 | 242 | 2008 |
A systematic analysis of packing energies and other packing parameters for fused-ring aromatic hydrocarbons A Gavezzotti, GR Desiraju Acta Crystallographica Section B: Structural Science 44 (4), 427-434, 1988 | 237 | 1988 |
Crystal chemistry in organic solids A Gavezzotti, M Simonetta Chemical Reviews 82 (1), 1-13, 1982 | 235 | 1982 |
Calculation of lattice energies of organic crystals: the PIXEL integration method in comparison with more traditional methods A Gavezzotti Zeitschrift für Kristallographie-Crystalline Materials 220 (5-6), 499-510, 2005 | 221 | 2005 |