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
-
Nuclear fusion 61 (2), pp. 023001-1 - 023001-75 Year: 2021 DOI: 10.1088/1741-4326/abc06c
The reversed field pinch
Marrelli L.; Martin P.; Puiatti M.E.; Sarff J.S.; Chapman B.E.; Drake J.R.; Escande D.F.; Masamune S.
-
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
-
Analytical letters 54 (12), pp. 2009 - 2021 Year: 2021 DOI: 10.1080/00032719.2020.1833021
Dry Ashing for Signal Enhancement in Laser-Induced Breakdown Spectroscopy (LIBS)
Lazaro, Maisa Cristina; de Morais, Carla Pereira; Silva, Tiago Varao; Senesi, Giorgio Saverio; Santos Junior, Dario; Gomes Neto, Jose Anchieta; Ferreira, Edilene Cristina
-
Nuclear fusion (Online) 61 (11), pp. 116068-1 - 116068-21 Year: 2021 DOI: 10.1088/1741-4326/ac21b9
First principle-based multi-channel integrated modelling in support to the design of the Divertor Tokamak Test facility
Casiraghi I.; Mantica P.; Koechl F.; Ambrosino R.; Baiocchi B.; Castaldo A.; Citrin J.; Dicorato M. ; Frassinetti L.; Mariani A.; Vincenzi P.; Agostinetti P.; Aucone L.; Balbinot L.; Ceccuzzi S.; Figini L.; Granucci G.; Innocente P.; Johnson T.; Nyström H.; Valisa M.
English
Italiano