{"title":"物质加性法的结构与性能","authors":"V. Dimitrov, L. Eppelbaum","doi":"10.1134/S1990793125700046","DOIUrl":null,"url":null,"abstract":"<p>The additive approach allows us to bypass quantum mechanics problems and directly estimate an individual chemical substance’s macroscopic physical and chemical properties through its atomic characteristics. The fundamental idea of the approach is that these properties depend entirely on the atomic-molecular structure of the substance and are found by simple additive summation of the properties of the atoms. The concept of statistically averaged equipotential (equigeometric) radius is firstly introduced, a normative basis that considers the stereometry of an actual molecule. This fixes the lower level of the corridor of estimation errors. The practicality of the approach is that it does not require a computer and takes a reasonably short calculation time.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":"19 2","pages":"294 - 299"},"PeriodicalIF":1.4000,"publicationDate":"2025-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Structure and Properties of Matter—Additive Approach\",\"authors\":\"V. Dimitrov, L. Eppelbaum\",\"doi\":\"10.1134/S1990793125700046\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>The additive approach allows us to bypass quantum mechanics problems and directly estimate an individual chemical substance’s macroscopic physical and chemical properties through its atomic characteristics. The fundamental idea of the approach is that these properties depend entirely on the atomic-molecular structure of the substance and are found by simple additive summation of the properties of the atoms. The concept of statistically averaged equipotential (equigeometric) radius is firstly introduced, a normative basis that considers the stereometry of an actual molecule. This fixes the lower level of the corridor of estimation errors. The practicality of the approach is that it does not require a computer and takes a reasonably short calculation time.</p>\",\"PeriodicalId\":768,\"journal\":{\"name\":\"Russian Journal of Physical Chemistry B\",\"volume\":\"19 2\",\"pages\":\"294 - 299\"},\"PeriodicalIF\":1.4000,\"publicationDate\":\"2025-07-08\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Russian Journal of Physical Chemistry B\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://link.springer.com/article/10.1134/S1990793125700046\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"PHYSICS, ATOMIC, MOLECULAR & CHEMICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Russian Journal of Physical Chemistry B","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1134/S1990793125700046","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"PHYSICS, ATOMIC, MOLECULAR & CHEMICAL","Score":null,"Total":0}
Structure and Properties of Matter—Additive Approach
The additive approach allows us to bypass quantum mechanics problems and directly estimate an individual chemical substance’s macroscopic physical and chemical properties through its atomic characteristics. The fundamental idea of the approach is that these properties depend entirely on the atomic-molecular structure of the substance and are found by simple additive summation of the properties of the atoms. The concept of statistically averaged equipotential (equigeometric) radius is firstly introduced, a normative basis that considers the stereometry of an actual molecule. This fixes the lower level of the corridor of estimation errors. The practicality of the approach is that it does not require a computer and takes a reasonably short calculation time.
期刊介绍:
Russian Journal of Physical Chemistry B: Focus on Physics is a journal that publishes studies in the following areas: elementary physical and chemical processes; structure of chemical compounds, reactivity, effect of external field and environment on chemical transformations; molecular dynamics and molecular organization; dynamics and kinetics of photoand radiation-induced processes; mechanism of chemical reactions in gas and condensed phases and at interfaces; chain and thermal processes of ignition, combustion and detonation in gases, two-phase and condensed systems; shock waves; new physical methods of examining chemical reactions; and biological processes in chemical physics.