Schäfer A, Horn H and Ahlrichs R 1992 J. Chem. Phys. 97 2571
Schäfer A, Huber C and Ahlrichs R 1994 J. Chem. Phys. 100 5829
Weigend F, Furche F and Ahlrichs R 2003 J. Chem. Phys. 119 12753
Almlöf J and Taylor P R 1987 J. Chem. Phys. 86 4070
Dunning Jr T H 1989 J. Chem. Phys. 90 1007
Woon D E and Dunning Jr T H 1993 J. Chem. Phys. 98 1358
Wilson A K, van Mourik T and Dunning Jr T H 1996 J. Mol. Struct. THEOCHEM 388 339
Wilson A K, Woon D E, Peterson K A and Dunning Jr T H 1999 J. Chem. Phys. 110 7667
Raffenet R C 1973 J. Chem. Phys. 58 4452
Dunning Jr T H 1970 J. Chem. Phys. 53 2823
Canal Neto A, Muniz E P, Centoducatte R and Jorge F E 2005 J. Mol. Struct. THEOCHEM 718 219
Camiletti G G, Machado S F and Jorge F E 2008 J. Comp. Chem. 29 2434
Barros C L, de Oliveira P J P, Jorge F E, Canal Neto A and Campos M 2010 Mol. Phys. 108 1965
Barbieri P L, Fantin P A and Jorge F E 2006 Mol. Phys. 104 2945
Machado S F, Camiletti G G, Canal Neto A, Jorge F E and Jorge R S 2009 Mol. Phys. 107 1713
Campos C T and Jorge F E 2013 Mol. Phys. 111 167
Ceolin G A, de Berrêdo R C and Jorge F E 2013 Theor. Chem. Acc. 132 1339
Ferreira I B, Campos C T and Jorge F E 2020 J. Mol. Model. 26 95
Camiletti G G, Canal Neto A, Jorge F E and Machado S F 2009 J. Mol. Struct. THEOCHEM 910 122
De Oliveira P J P, Barros C L, Jorge F E, Canal Neto A and Campos M 2010 J. Mol. Struct. THEOCHEM 948 43
Fantin P A, Barbieri P L, Canal Neto A and Jorge F E 2007 J. Mol. Struct. THEOCHEM 810 103
Martins L S C, de Souza F A L, Ceolin G A, Jorge F E, de Berrêdo R C and Campos C T 2013 Comput. Theor. Chem. 1013 62
Van Lenthe E, Baerends E J and Snijders J G 1993 J. Chem. Phys. 99 4597
Douglas M and Kroll N M 1974 Ann. Phys. 82 89
Hess B A 1985 Phys. Rev. A 32 756
Hess B A 1986 Phys. Rev. A 33 3742
De Jong W A, Harrison R J and Dixon D A 2001 J. Chem. Phys. 114 48
Jorge F E, Canal Neto A, Camiletti G G and Machado S F 2009 J. Chem. Phys. 130 064108
De Almeida C A, Pinto L P N M, dos Santos H F and Paschoal D F S 2021 J. Mol. Model. 27 322
Mikherdov A S, Jin M and Ito H 2023 Chem. Sci. 14 4485
Lavrenova L G, Ivanova A I, Glinskaya L A, Artem’ev A V, Lavrov A N, Novikov A S and Abramov P A 2023 Chem. Asian J. 18 e202201200
Fomenko I S, Koshcheeva O S, Kuznetsova N I, Larina T V, Gongola M I, Afewerki M, Abramov P A, Novikov A S and Gushchin A L 2023 Catalysts 13 849
Jorge F E and de Macedo L G M 2016 Chin. Phys. B 25 123102
Jorge F E and Venancio J R C 2018 Chin. Phys. B 27 063102
Roos B O, Lindh R, Malmqvist P Å, Veryazov V and Widmark P O 2005 J. Phys. Chem. A 109 6575
Roos B O, Lindh R, Malmqvist P Å, Veryazov V and Widmark P O 2004 J. Phys. Chem. A 108 2851
Roos B O, Veryazov V and Widmark P O 2004 Theor. Chem. Acc. 111 345
Noro T, Sekiya M and Koga T 2012 Theor. Chem. Acc. 131 1124
Balabanov N B and Peterson K A 2005 J. Chem. Phys. 123 064107
Peterson K A, Figgen D, Dolg M and Stoll H 2007 J. Chem. Phys. 126 124101
Canal Neto A, Ferreira I B, Jorge F E and de Oliveira A Z 2021 Chem. Phys. Lett. 771 138548
Pantazis D A, Chen X Y, Landis C R and Neese F 2008 J. Chem. Theory Comput. 4 908
Canal Neto A, de Oliveira A Z, Jorge F E and Camiletti G G 2021 J. Mol. Model. 27 232
Jorge F E and Canal Neto A 2020 Theor. Chem. Acc. 139 76
Neese F 2018 WIREs Comput. Mol. Sci. 8 e1327
Franzk Y J, Spiske L, Pollak P and Weigend F 2020 J. Chem. Theory Comput. 16 5658
Kramida A, Ralchenko Yu, Reader J and NIST ASD Team 2023 NIST Atomic Spectra Database (ver. 5.11)
Centoducatte R, de Oliveira A Z, Jorge F E and Camiletti G G 2022 Comput. Theor. Chem. 1207 113511
Schwerdtfeger P and Nagle J K 2019 Mol. Phys. 117 1200
Lide D R (Ed.) 2003-2004 CRC Handbook of Chemistry and Physics 84th edn (CRC Press)
Huber K P and Herzberg G 1979 Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules (New York: Van Nostrand Reinhold)
Sontag H and Weber R 1982 J. Mol. Spectrosc. 91 72
Chase Jr M W 1998 J. Phys. Chem. Ref. Data Monograph vol. 9. NISTJANAF Thermochemical Tables, 4th edn, Part I, Al-Co (New York: American Institute of Physics)
Feller D, Peterson K A, de Jong W A and Dixon D A 2003 J. Chem. Phys. 118 3510
Peterson K A, Shepler B C, Figgen D and Stoll H 2006 J. Phys. Chem. A 110 13877
DeYonker N J, Peterson K A and Wilson A K 2007 J. Phys. Chem. A 111 11383
Shim I, Mandix K and Gingerich K A 1991 J. Phys. Chem. 95 5435
Kingcade J E, Nagarathna-Naik H M, Shim I and Gingerich K A 1986 J. Phys. Chem. 90 2830
Zavitsas A A 2003 J. Phys. Chem. A 107 897