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
-
Chemical physics letters (Print) 773 pp. 138603-1 - 138603-6 Year: 2021 DOI: 10.1016/j.cplett.2021.138603
Dispersion energy effects on oxygen interaction with cesiated molybdenum surfaces
Sanna N.; Rutigliano M.; Palma A.
-
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.
-
Plasma physics and controlled fusion (Print) 63 (12), pp. 125009-1 - 125009-11 Year: 2021 DOI: 10.1088/1361-6587/ac2eb2
First results from beam emission spectroscopy in SPIDER negative ion source
Barbisan M.; Zaniol B.; Pasqualotto R.; Serianni G.; Ugoletti M.
-
The astrophysical journal. Letters (Online) 919 (2), pp. L30-1 - L30-8 Year: 2021 DOI: 10.3847/2041-8213/ac26c5
Turbulent Cascade and Energy Transfer Rate in a Solar Coronal Mass Ejection
Sorriso-Valvo, Luca; Yordanova, Emiliya; Dimmock, Andrew P.; Telloni, Daniele
English
Italiano