双原子化合物Fr2和FrX (X=F, Cl, Br, I或At)光谱常数、极性和偶极矩的伪势标量相对论CCSD(T)和DFT研究

Revista Virtual de Química Pub Date : 2022-01-01 DOI:10.21577/1984-6835.20220046

Heracles P. Wanzeler, Luiz G. M. de Macedo

{"title":"双原子化合物Fr2和FrX (X=F, Cl, Br, I或At)光谱常数、极性和偶极矩的伪势标量相对论CCSD(T)和DFT研究","authors":"Heracles P. Wanzeler, Luiz G. M. de Macedo","doi":"10.21577/1984-6835.20220046","DOIUrl":null,"url":null,"abstract":"This is an open-access article distributed under the terms of the Creative Commons Attribution License. Rev. Virtual Quim., 2022, no prelo, 1-6 ©2021 Sociedade Brasileira de Química aUniversidade do Estado do Pará, Campus II, Tv. Perebebuí 2623, Marco, CEP 66087-662, Belém-PA, Brasil. bUniversidade Federal de São João del Rei, Campus Centro Oeste dona Lindu CCO, Rua Sebastião Gonçalves Coelho, 400 Chanadour, CEP 35501-296, Divinópolis-MG, Brasil","PeriodicalId":21315,"journal":{"name":"Revista Virtual de Química","volume":"39 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Pseudopotential Scalar Relativistic CCSD(T) and DFT Study of Spectroscopic Constants, Polarity and Dipole Moment in Diatomic Compounds Fr2 and FrX (X=F, Cl, Br, I or At)\",\"authors\":\"Heracles P. Wanzeler, Luiz G. M. de Macedo\",\"doi\":\"10.21577/1984-6835.20220046\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"This is an open-access article distributed under the terms of the Creative Commons Attribution License. Rev. Virtual Quim., 2022, no prelo, 1-6 ©2021 Sociedade Brasileira de Química aUniversidade do Estado do Pará, Campus II, Tv. Perebebuí 2623, Marco, CEP 66087-662, Belém-PA, Brasil. bUniversidade Federal de São João del Rei, Campus Centro Oeste dona Lindu CCO, Rua Sebastião Gonçalves Coelho, 400 Chanadour, CEP 35501-296, Divinópolis-MG, Brasil\",\"PeriodicalId\":21315,\"journal\":{\"name\":\"Revista Virtual de Química\",\"volume\":\"39 1\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2022-01-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Revista Virtual de Química\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.21577/1984-6835.20220046\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Revista Virtual de Química","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.21577/1984-6835.20220046","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}

引用次数: 0

摘要

这是一篇在知识共享署名许可条款下发布的开放存取文章。Rev. Virtual Quim。， 2022，即将出版，1-6©2021巴西化学学会para州立大学，Campus II, Tv。perebebui 2623, Marco, CEP 66087-662, belem -PA，巴西。b联邦大学sao joao del Rei, Campus Centro Oeste dona Lindu CCO, Rua sebastiao goncalves Coelho, 400 Chanadour, CEP 35501-296, divinopolis -MG，巴西

本文章由计算机程序翻译，如有差异，请以英文原文为准。

查看原文本刊更多论文

Pseudopotential Scalar Relativistic CCSD(T) and DFT Study of Spectroscopic Constants, Polarity and Dipole Moment in Diatomic Compounds Fr2 and FrX (X=F, Cl, Br, I or At)

This is an open-access article distributed under the terms of the Creative Commons Attribution License. Rev. Virtual Quim., 2022, no prelo, 1-6 ©2021 Sociedade Brasileira de Química aUniversidade do Estado do Pará, Campus II, Tv. Perebebuí 2623, Marco, CEP 66087-662, Belém-PA, Brasil. bUniversidade Federal de São João del Rei, Campus Centro Oeste dona Lindu CCO, Rua Sebastião Gonçalves Coelho, 400 Chanadour, CEP 35501-296, Divinópolis-MG, Brasil

求助全文

通过发布文献求助，成功后即可免费获取论文全文。去求助

来源期刊

Revista Virtual de Química

自引率

0.00%

发文量