Functional groups expressed as graphs extracted from the Laplacian of the electron density
- 22 January 2003
- journal article
- research article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 92 (3) , 326-336
- https://doi.org/10.1002/qua.10483
Abstract
No abstract availableKeywords
This publication has 74 references indexed in Scilit:
- Protonation energies and the Laplacian of the electron density: A critical examinationPhysical Chemistry Chemical Physics, 2001
- Nucleophilic addition to activated double bonds: predictions of reactivity from the Laplacian of the charge densityThe Journal of Physical Chemistry, 1989
- Properties of atoms in molecules: krypton and xenon and their bonds to nitrogen and fluorine in hydrogen cyanide complexes with noble gas fluorides, HCN-NgF+, NgF+ and NgF2 (Ng = noble gas)Inorganic Chemistry, 1989
- Synthon Model of Organic Chemistry and Synthesis DesignPublished by Springer Nature ,1989
- An analysis of the hydrogen bond in BASE-HF complexes using the theory of atoms in moleculesMolecular Physics, 1988
- Prediction of the structures of hydrogen-bonded complexes using the laplacian of the charge densityMolecular Physics, 1988
- Toward a theory of chemical reactivity based on the charge densityJournal of the American Chemical Society, 1985
- Structure and bonding in sulfur-nitrogen compoundsInorganic Chemistry, 1985
- Bonded and nonbonded charge concentrations and their relation to molecular geometry and reactivityJournal of the American Chemical Society, 1984
- Quantum Theory of Atoms in Molecules–Dalton RevisitedPublished by Elsevier ,1981