title: Construction of coherent nano quantitative structure-properties relationships (nano-QSPR) models and catastrophe theory.
abstract: The structure one can associate to coherent nano-quantitative structure-properties relationship (nano-QSPR) models is briefly discussed. Such nano-QSPR model functions are described as possessing three parts: a particle size polynomial; a typical QSPR function; and a special effects function. The expected behaviour of the particle size part is discussed from the point of view of catastrophe theory, in this way providing a plausible general picture about the emergence of new properties of nanoparticles and holographic location of information content.
authors: Institut de Química Computacional, Universitat de Girona, Spain. quantumqsar@hotmail.com
authors: R
authors: R
authors: Carbó-Dorca
authors: E
authors: E
authors: Besalú
mesh_terms: D008962:Models, Theoretical; D053758:Nanoparticles / Q000737:chemistry*; D036103:Nanotechnology / Q000379:methods*; D021281:Quantitative Structure-Activity Relationship