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Martins, L.S.C., Jorge, F.E., Machado, S.F. (2015) All-electron segmented contraction basis sets of triple zeta valence quality for the fifth-row elements. Molecular Physics, 113. 3578-3586 doi:10.1080/00268976.2015.1040095

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Reference TypeJournal (article/letter/editorial)
TitleAll-electron segmented contraction basis sets of triple zeta valence quality for the fifth-row elements
JournalMolecular Physics
AuthorsMartins, L.S.C.Author
Jorge, F.E.Author
Machado, S.F.Author
Year2015 (November 17)Volume113
PublisherInforma UK Limited
DOIdoi:10.1080/00268976.2015.1040095Search in ResearchGate
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Mindat Ref. ID5981811Long-form Identifiermindat:1:5:5981811:9
GUID0
Full ReferenceMartins, L.S.C., Jorge, F.E., Machado, S.F. (2015) All-electron segmented contraction basis sets of triple zeta valence quality for the fifth-row elements. Molecular Physics, 113. 3578-3586 doi:10.1080/00268976.2015.1040095
Plain TextMartins, L.S.C., Jorge, F.E., Machado, S.F. (2015) All-electron segmented contraction basis sets of triple zeta valence quality for the fifth-row elements. Molecular Physics, 113. 3578-3586 doi:10.1080/00268976.2015.1040095
In(n.d.) Molecular Physics Vol. 113. Informa UK Limited

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Campos, C.T., de Oliveira, A.Z., Ferreira, I.B., Jorge, F.E., Martins, L.S.C. (2017) Segmented all-electron Gaussian basis sets of double and triple zeta qualities for Fr, Ra, and Ac. Chemical Physics Letters, 675. 1-5 doi:10.1016/j.cplett.2017.02.080
Jorge, F.E., Martins, L.S.C., Franco, M.L. (2016) All-electron double zeta basis sets for the lanthanides: Application in atomic and molecular property calculations. Chemical Physics Letters, 643. 84-88 doi:10.1016/j.cplett.2015.11.013
Machado, S.F., Camiletti, G.G., Neto, A. Canal, Jorge, F.E., Jorge, Raquel S. (2009) Gaussian basis set of triple zeta valence quality for the atoms from K to Kr: Application in DFT and CCSD(T) calculations of molecular properties. Molecular Physics, 107. 1713-1727 doi:10.1080/00268970903042258
Canal Neto, A., Jorge, F.E. (2013) All-electron double zeta basis sets for the most fifth-row atoms: Application in DFT spectroscopic constant calculations. Chemical Physics Letters, 582. 158-162 doi:10.1016/j.cplett.2013.07.045
Campos, C.T., Jorge, F.E. (2013) Triple zeta quality basis sets for atoms Rb through Xe: application in CCSD(T) atomic and molecular property calculations. Molecular Physics, 111. 167-173 doi:10.1080/00268976.2012.709282
Camiletti, G.G., Canal Neto, A., Jorge, F.E., Machado, S.F. (2009) Augmented Gaussian basis sets of double and triple zeta valence qualities for the atoms K and Sc–Kr: Applications in HF, MP2, and DFT calculations of molecular electric properties. Journal of Molecular Structure: THEOCHEM, 910. 122-125 doi:10.1016/j.theochem.2009.06.024
Barbieri, P. L., Fantin, P. A., Jorge, F. E. (2006) Gaussian basis sets of triple and quadruple zeta valence quality for correlated wave functions. Molecular Physics, 104. 2945-2954 doi:10.1080/00268970600899018
de Oliveira, A.Z., Campos, C.T., Jorge, F.E., Ferreira, I.B., Fantin, P.A. (2018) All-electron triple zeta basis sets for the actinides. Computational and Theoretical Chemistry, 1135. 28-33 doi:10.1016/j.comptc.2018.05.010
Centoducatte, R., de Oliveira, A.Z., Jorge, F.E., Camiletti, G.G. (2022) ZORA double zeta basis sets for fifth row elements: Application in studies of electronic structures of atoms and molecules. Computational and Theoretical Chemistry, 1207. 113511pp. doi:10.1016/j.comptc.2021.113511
Canal Neto, A., Ferreira, I.B., Jorge, F.E., de Oliveira, A.Z. (2021) All-electron triple zeta basis sets for ZORA calculations: Application in studies of atoms and molecules. Chemical Physics Letters, 771. 138548pp. doi:10.1016/j.cplett.2021.138548
Jorge, F.E., Sagrillo, P.S., de Oliveira, A.R. (2006) Gaussian basis sets of 5 zeta valence quality for correlated wave functions. Chemical Physics Letters, 432. 558-563 doi:10.1016/j.cplett.2006.10.026
 
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