The application of formal languages to the generation of ideal chemical structures is demonstrated. The grammars are based on linear expressions of the molecular structure which are defined recursively using simple rules. The general concepts are applied to concrete systems: branched alkanes and branched polyethers. It is shown that the molecular dimension is necessarily limited for structures formulated by systematic replacements in linear expressions. In perspective, more general grammars can lead to an increasing application of formal languages to the proposal of new complex structures.
Generative grammars for branched molecular structures
Longo S.
Journal:
Chemical physics letters (Print) 809 pp. 140151-1 - 140151-5
Year:
2022
ISTP Authors: Savino Longo
Keywords: Molecular modeling, Formal languages, Branched molecules, L-systems
Research Activitie: JOURNAL ARTICLES
Related products
-
Physical review. E (Print) 104 (2), pp. 025201-1 - 025201-13 Year: 2021 DOI: 10.1103/PhysRevE.104.025201
Transition to turbulence in a five-mode Galerkin truncation of two-dimensional magnetohydrodynamics
Carbone, Francesco; Telloni, Daniele; Zank, Gary; Sorriso-Valvo, Luca
-
Trends in Environmental Analytical Chemistry 30 pp. e00121-1 - e00121-12 Year: 2021 DOI: 10.1016/j.teac.2021.e00121
Laser-Induced Breakdown Spectroscopy applied to environmental systems and their potential contaminants. An overview of advances achieved in the last few years
Goncalves D.A.; Senesi G.S.; Nicolodelli G.
-
Astronomy & astrophysics (Print) 653 pp. A156-1 - A156-16 Year: 2021 DOI: 10.1051/0004-6361/202140279
Bridging hybrid- and full-kinetic models with Landau-fluid electrons I. 2D magnetic reconnection
Finelli F.; Cerri S.S.; Califano F.; Pucci F.; Laveder D.; Lapenta G.; Passot T.
English
Italiano