Hints for a formal language inspired by Lewis structures

被引:3
|
作者
Longo, Savino [1 ]
机构
[1] Univ Bari, Dept Chem, Via Orabona 4, I-70126 Bari, Italy
关键词
Formal languages; Structural chemistry; Lewis structures; VSEPR;
D O I
10.1007/s10698-022-09439-6
中图分类号
N09 [自然科学史]; B [哲学、宗教];
学科分类号
01 ; 0101 ; 010108 ; 060207 ; 060305 ; 0712 ;
摘要
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.
引用
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页码:315 / 330
页数:16
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