{"title":"Computing the Matching Polynomials and Independence Polynomials of Phenylene Chains","authors":"Hanlin Chen, Xiang Gao","doi":"10.1002/qua.70002","DOIUrl":null,"url":null,"abstract":"<div>\n \n <p>Phenylene, a significant structural motif in organic chemistry, exhibits remarkable electron delocalization and stability. In this paper, we first present reduction formulas for computing the matching polynomial and the independence polynomial of any phenylene chain using the transfer matrix technique. We then derive computational formulas for the Hosoya index and the Merrifield–Simmons index of phenylene chains. Additionally, we obtain the expected values of the Hosoya index and the Merrifield–Simmons index for a random phenylene chain.</p>\n </div>","PeriodicalId":182,"journal":{"name":"International Journal of Quantum Chemistry","volume":"125 1","pages":""},"PeriodicalIF":2.3000,"publicationDate":"2024-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"International Journal of Quantum Chemistry","FirstCategoryId":"92","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/qua.70002","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
Phenylene, a significant structural motif in organic chemistry, exhibits remarkable electron delocalization and stability. In this paper, we first present reduction formulas for computing the matching polynomial and the independence polynomial of any phenylene chain using the transfer matrix technique. We then derive computational formulas for the Hosoya index and the Merrifield–Simmons index of phenylene chains. Additionally, we obtain the expected values of the Hosoya index and the Merrifield–Simmons index for a random phenylene chain.
期刊介绍:
Since its first formulation quantum chemistry has provided the conceptual and terminological framework necessary to understand atoms, molecules and the condensed matter. Over the past decades synergistic advances in the methodological developments, software and hardware have transformed quantum chemistry in a truly interdisciplinary science that has expanded beyond its traditional core of molecular sciences to fields as diverse as chemistry and catalysis, biophysics, nanotechnology and material science.