Hints for a formal language inspired by Lewis structures

IF 1.8 3区化学 Q1 HISTORY & PHILOSOPHY OF SCIENCE

Foundations of Chemistry Pub Date : 2022-08-03 DOI:10.1007/s10698-022-09439-6

Savino Longo

引用次数: 3

Abstract

Summary

In this work we elaborate on the idea of a formal theory for a limited but important part of structural chemistry, that described by Lewis’ methods and VSEPR (Valence Shell Electron Pair Repulsion). For this purpose, recursive functions and propositional functions are defined, that apply to formal expressions of the structure, based on a finite set of symbols. This approach allows for the expression of numerous questions of chemical interest. The formalization of basic structural chemistry based on Lewis/VSEPR method is potentially useful for the automation of the related procedures, but possibly also of some use as complementary material in teaching and as a heuristic tool in structural chemistry.

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受刘易斯结构启发的形式语言提示

在这项工作中，我们阐述了结构化学中一个有限但重要的部分的形式理论的想法，这是由刘易斯的方法和VSEPR(价壳层电子对排斥)描述的。为此，定义了基于有限符号集的递归函数和命题函数，它们适用于结构的形式表达式。这种方法允许表达许多感兴趣的化学问题。基于Lewis/VSEPR方法的基本结构化学形式化对相关过程的自动化有潜在的帮助，但也可能作为教学的补充材料和结构化学的启发式工具。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Foundations of Chemistry HISTORY & PHILOSOPHY OF SCIENCE-

自引率

22.20%

发文量

期刊介绍： Foundations of Chemistry is an international journal which seeks to provide an interdisciplinary forum where chemists, biochemists, philosophers, historians, educators and sociologists with an interest in foundational issues can discuss conceptual and fundamental issues which relate to the `central science'' of chemistry. Such issues include the autonomous role of chemistry between physics and biology and the question of the reduction of chemistry to quantum mechanics. The journal will publish peer-reviewed academic articles on a wide range of subdisciplines, among others: chemical models, chemical language, metaphors, and theoretical terms; chemical evolution and artificial self-replication; industrial application, environmental concern, and the social and ethical aspects of chemistry''s professionalism; the nature of modeling and the role of instrumentation in chemistry; institutional studies and the nature of explanation in the chemical sciences; theoretical chemistry, molecular structure and chaos; the issue of realism; molecular biology, bio-inorganic chemistry; historical studies on ancient chemistry, medieval chemistry and alchemy; philosophical and historical articles; and material of a didactic nature relating to all topics in the chemical sciences. Foundations of Chemistry plans to feature special issues devoted to particular themes, and will contain book reviews and discussion notes. Audience: chemists, biochemists, philosophers, historians, chemical educators, sociologists, and other scientists with an interest in the foundational issues of science.