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