Calculation of lattice energies of organic crystals: the PIXEL integration method in comparison with more traditional methods
By A. Gavezzotti. 2005
188 citations recorded by the source corpus.
Subfields: Atomic and Molecular Physics, and Optics, Organic Chemistry, Physical and Theoretical Chemistry
View Paper: https://www.semanticscholar.org/paper/d3b37954e067803e77233917d4e88bc2f74bc337
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In Atomic and Molecular Physics, and Optics
- Carlo Gatti
- M. J. Turner
- Peter R. Spackman
- Joshua J. McKinnon
- Dylan Jayatilaka
- Mark A. Spackman
- Daniel J. Grimwood
- C. Mackenzie
In Organic Chemistry
- Carlo Gatti
- M. J. Turner
- Peter R. Spackman
- Joshua J. McKinnon
- Dylan Jayatilaka
- Mark A. Spackman
- Daniel J. Grimwood
- C. Mackenzie
In Physical and Theoretical Chemistry
- Carlo Gatti
- Dylan Jayatilaka
- Mark A. Spackman
- M. J. Turner
- Peter R. Spackman
- Joshua J. McKinnon
- Daniel J. Grimwood
- C. Mackenzie
Citations in the corpus
- CrystalExplorer: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals (2021, methodology): “CrystalExplorer model energies CrystalExplorer computes pairwise intermolecular interaction energies using an approach inspired by the PIXEL (Gavezzotti, 2005) method, but the approach used in CrystalExplorer differs in several important points.”
- CrystalExplorer model energies and energy frameworks: extension to metal coordination compounds, organic salts, solvates and open-shell systems (2017, methodology): “That analysis made use of Gavezzotti’s PIXEL methodology (Gavezzotti, 2005) and symmetry-adapted perturbation theory to compute intermolecular energies, Hirshfeld surface analysis (Spackman & Jayatilaka, 2009) and periodic DFT calculations, as well as mapping the molecular electrostatic potential…”
- Chemical bonding in crystals: new directions (2005, background): “These ideas form the basis of the PIXEL method, due to Gavezzotti [183, 182] and illustrated in this same issue [184].”