[1] Saue T 2011 ChemPhysChem 12 3077 [2] Dolg M and Cao X 2012 Chem. Rev. 112 403 [3] Güell M, Luis J M, Solá M and Swart M 2008 J. Phys. Chem. A 112 6384 [4] Vyboishchikov S F, Sierraalta A and Frenking G 1997 J. Comput. Chem. 18 416 [5] Cirera J and Ruiz E 2008 C R Chim. 11 1227 [6] Van Lenthe E, Baerends E J and Snijders J G 1993 J. Chem. Phys. 99 4597 [7] Douglas M and Kroll N M 1974 Ann. Phys. 82 89 [8] Hess B A 1985 Phys. Rev. A 32 756 [9] Hess B A 1986 Phys. Rev. A 33 3742 [10] Jorge F E, Canal Neto A, Camiletti G G and Machado S F 2009 J. Chem. Phys. 130 064108 [11] Campos C T and Jorge F E 2013 Mol. Phys. 111 167 [12] Martins L S C, Jorge F E and Machado S F 2015 Mol. Phys. 113 3578 [13] Blagojevic V, Blagojevic V A, Koyanagi G K and Bohme D K 2022 J. Am. Soc. Mass Spectrom. 33 1419 [14] Zhang L, Wang L L and Fang D C 2022 ACS Omega 7 6133 [15] Aliyarova I S, Tupikina E Yu, Ivanov D M and Kukushkin V Yu 2022 Inorg. Chem. 61 2558 [16] Pelczarski D, Korolevych O, Gierczyk B, Zalas M, Makowska-Janusik M and Stampor W 2022 Materials 15 2278 [17] De Almeida C A, Pinto L P N M, dos Santos H F and Paschoal D F S 2021 J. Mol. Model. 27 322 [18] Porto C M, Santana L C and Morgon N H 2020 Theor. Chem. Acc. 139 121 [19] Orenha R P, Caramori G F, Misturini A and Galembeck S E 2019 J. Mol. Model. 25 11 [20] Jorge F E and de Macedo L G M 2016 Chin. Phys. B 25 123102 [21] Jorge F E and Venâncio J R C 2018 Chin. Phys. B 27 063102 [22] Roos B O, Lindh R, Malmqvist P Å, Veryazov V and Widmark P O 2005 J. Phys. Chem. A 109 6575 [23] Roos B O, Lindh R, Malmqvist P Å, Veryazov V and Widmark P O 2004 J. Phys. Chem. A 108 2851 [24] Roos B O, Veryazov V and Widmark P O 2004 Theor. Chem. Acc. 111 345 [25] Nakajima T and Hirao K 2002 J. Chem. Phys. 116 8270 [26] Watanabe Y, Tatewaki H, Koga T and Matsuoka O 2006 J. Comput. Chem. 27 48 [27] Faegri K 2001 Theor. Chem. Acc. 105 252 [28] Pantazis D A, Chen X Y, Landis C R and Neese F 2008 J. Chem. Theory Comput. 4 908 [29] Centoducatte R, de Oliveira A Z, Jorge F E and Camiletti G G 2022 Comput. Theor. Chem. 1207 113511 [30] Canal Neto A, Ferreira I B, Jorge F E and de Oliveira A Z 2021 Chem. Phys. Lett. 771 138548 [31] Jorge F E and Canal Neto A 2020 Theor. Chem. Acc. 139 76 [32] Neese F 2018 WIRES-Comp. Mol. Sci. 8 e1327 [33] Campos C T, de Oliveira A Z, Ferreira I B, Jorge F E, Martins L S C 2017 Chem. Phys. Lett. 675 1 [34] De Jong W A, Harrison R J and Dixon D A 2001 J. Chem. Phys. 114 48 [35] Kramida A, Ralchenko Yu and Reader J 2021 NIST ASD Team. NIST Atomic Spectra Database (ver. 5.9), National Institute of Standards and Technology, Gaithersburg, MD [36] Franzke Y J, Spiske L, Pollak P and Weigend F 2020 J. Chem. Theory Comput. 16 5658 [37] Schwerdtfeger P and Nagle J K 2019 Mol. Phys. 117 1200 [38] Lide D R (ed.) 2003-2004 CRC Handbook of Chemistry and Physics, 84th edn. (Boca Raton, Florida: CRC Press) [39] Huber K P and Herzberg G 1979 Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules (New York: Van Nostrand Reinhold) [40] Allouche A R, Aubert-Frécon M, Nicolas G and Spiegelmann F 1995 Chem. Phys. 200 63 [41] Froben F W, Schulze W and Kloss U 1983 Chem. Phys. Lett. 99 500 [42] Balasubramanian K 1997 Relativistic Effects in Chemistry, Part B (New York: Wiley) [43] Roos B O and Malmqvist P A 2004 Phys. Chem. Chem. Phys. 6 2919 [44] Sebetci A 2006 Chem. Phys. 331 9 [45] Puzzarini C and Peterson K A 2005 Chem. Phys. 311 177 [46] Metz B, Schweizer1 M, Stoll H, Dolg M and Liu W 2000 Theor. Chem. Acc. 104 22 [47] Van Lenthe E, Snijders J G and Baerends E J 1996 J. Chem. Phys. 105 6505 [48] Visscher L and Dyall K G 1996 J. Chem. Phys. 104 9040 |