Multiresolution non-covalent interaction analysis for ligand–protein promolecular electron density distributions
Author:
Publisher
Springer Science and Business Media LLC
Subject
Physical and Theoretical Chemistry
Link
https://link.springer.com/content/pdf/10.1007/s00214-020-02705-w.pdf
Reference41 articles.
1. Runtz GR, Bader RFW, Messer RR (1977) Definition of bond paths and bond directions in terms of the molecular charge distribution. Can J Chem 55:3040–3045
2. Bader RF (2001) The zero-flux surface and the topological and quantum definitions of an atom in a molecule. Theor Chem Acc 105:276–283
3. Popelier PLA (2014). In: Frenking G, Shaik S (eds) The chemical bond: Fundamental aspects of chemical bonding. Wiley-VCH, Weinheim
4. Koritsansky TS, Coppens Ph (2001) Chemical applications of X-ray charge-density analysis. Chem Rev 101:1583–1627
5. Katan C, Rabiller P, Lecomte C, Guezo M, Oison V, Souhassou M (2002) Numerical computation of critical properties and atomic basins from three-dimensional grid electron densities. Appl Crystallogr 36:65–73
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