Optimized Structural Data at the Complete Basis Set Limit via Successive Quadratic Minimizations
Pansini, F. N. N, Mota, V. C, Varandas, A. J. C
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (23.12.2021)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (23.12.2021)
Get full text
Journal Article
Application of the Unified Singlet and Triplet Electron-Pair Extrapolation Scheme with Basis Set Rehierarchization to Tensorial Properties
Pansini, F. N. N, Neto, A. C, Varandas, A. J. C
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (19.02.2015)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (19.02.2015)
Get full text
Journal Article
Effects of All-Electron Basis Sets and the Scalar Relativistic Corrections in the Structure and Electronic Properties of Niobium Clusters
Pansini, F. N. N, Neto, A. C, de Campos, M, de Aquino, R. M
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (03.08.2017)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (03.08.2017)
Get full text
Journal Article
Spin state engineering of triangulene graphene embedded in h-BN nanoflake
Filho, L. Fiorini, Terroso, C.J., de Souza, F.A.L., Paz, W.S., Pansini, F.N.N.
Published in Carbon (New York) (01.09.2023)
Published in Carbon (New York) (01.09.2023)
Get full text
Journal Article
Gaussian basis set of sextuple zeta quality for hydrogen through argon
Campos, C.T., Ceolin, G.A., Canal Neto, A., Jorge, F.E., Pansini, F.N.N.
Published in Chemical physics letters (18.11.2011)
Published in Chemical physics letters (18.11.2011)
Get full text
Journal Article