Open Access<span>Gaussian basis set of triple zeta quality for atoms Fr through Lr: Application in DFT calculations of molecular properties</span>
Author(s) -
A.Z. de Oliveira,
C.T. Campos,
I. B. Ferreira,
F.E. Jorge,
L.S.C. Martins,
P.A. Fantin
Publication year - 2018
Publication title -
proceedings of mol2net 2018, international conference on multidisciplinary sciences, 4th edition
Language(s) - English
Resource type - Conference proceedings
DOI - 10.3390/mol2net-04-05446
Subject(s) - basis set , dissociation (chemistry) , atomic physics , diatomic molecule , gaussian , bond dissociation energy , valence (chemistry) , bond length , basis (linear algebra) , chemistry , molecule , physics , molecular physics , computational chemistry , density functional theory , quantum mechanics , mathematics , geometry