References
- Y. Shimura. Bull. Chem. Soc. Jpn. 61, 693–698 (1988). doi:https://doi.org/10.1246/bcsj.61.693.
- R. Tsuchida. Bull. Chem. Soc. Jpn. 13, 388–400 (1938). doi:https://doi.org/10.1246/bcsj.13.388.
- R. Tsuchida. Bull. Chem. Soc. Jpn. 13, 436–450 (1938). doi:https://doi.org/10.1246/bcsj.13.436.
- R. Tsuchida and M. Kobayashi. Bull. Chem. Soc. Jpn. 13, 471–480 (1938). doi:https://doi.org/10.1246/bcsj.13.471.
- T. Ishii, S. Tsuboi, G. Sakane, M. Yamashita and B.K. Breedlove. J. Chem. Soc. Dalt. Trans, 680–687 (2009). doi:https://doi.org/10.1039/B810590A.
- C.K. Jørgensen, Absorption Spectra and Chemical Bonding in Complexes, 1st ed. (Elsevier, Geneva, 1962).
- J. Chatt. Coord. Chem. Rev. 43, 337–347 (1982). doi:https://doi.org/10.1016/S0010-8545(00)82104-9.
- M. Atanasov, C.A. Daul and C. Rauzy. Struct Bond, 106, 97–125 (2004). doi:https://doi.org/10.1007/b11308.
- H.S. Yu, X. He and D.G. Truhlar. J. Chem. Theory Comput. 12, 1280–1293 (2016). doi:https://doi.org/10.1021/acs.jctc.5b01082.
- N. Mardirossian and M. Head-Gordon. Mol. Phys. 115, 2315–2372 (2017). doi:https://doi.org/10.1080/00268976.2017.1333644.
- M. Atanasov, D. Ganyushin, K. Sivalingam and F. Neese. Struct. Bond. 143, 149–220 (2012). doi:https://doi.org/10.1007/430_2011_57.
- S.K. Singh, J. Eng, M. Atanasov and F. Neese. Coord. Chem. Rev. 344, 2–25 (2017). doi:https://doi.org/10.1016/j.ccr.2017.03.018.
- L. Lang, M. Atanasov and F. Neese. J. Phys. Chem. A. 124, 1025–1037 (2020). doi:https://doi.org/10.1021/acs.jpca.9b11227.
- F. Neese. J. Biol. Inorg. Chem. 11, 702–711 (2006). doi:https://doi.org/10.1007/s00775-006-0138-1.
- C. Anthon, J. Bendix and C.E. Schäffer. Inorg. Chem. 42, 4088–4097 (2003). doi:https://doi.org/10.1021/ic0262233.
- M. Atanasov, C.A. Daul and C. Rauzy. Chem. Phys. Lett. 367, 737–746 (2003). doi:https://doi.org/10.1016/S0009-2614(02)01762-1.
- R.J. Deeth. Eur. J. Inorg. Chem. 2020, 1960–1963 (2020). doi:https://doi.org/10.1002/ejic.202000143.
- R.J. Deeth. Dalt. Trans. 49, 9641–9650 (2020). doi:https://doi.org/10.1039/D0DT02022B.
- S.R. Mortensen and K.P. Kepp. J. Phys. Chem. A. 119, 4041–4050 (2015). doi:https://doi.org/10.1021/acs.jpca.5b01626.
- J. Moens, P. Jaque, F. De Proft and P. Geerlings. ChemPhysChem. 10, 847–854 (2009). doi:https://doi.org/10.1002/cphc.200800864.
- C.A. Daul. J. Phys. Conf. Ser. 428, 012023 (2013). doi:https://doi.org/10.1088/1742-6596/428/1/012023.
- C. Anthon, J. Bendix and C.E. Schäffer. Inorg. Chem. 43, 7882–7886 (2004). doi:https://doi.org/10.1021/ic049507r.
- J. Weber and C. Daul. Mol. Phys. 39, 1001–1011 (1980). doi:https://doi.org/10.1080/00268978000100851.
- C.J. Ballhausen, Introduction to Ligand Field Theory, 1st ed. (McGraw-Hill Book Co., New York, 1962).
- C.K. Jørgensen, Recent Progress in Ligand Field Theory, 1st ed. (Springer, Berlin, 1966).
- K.B. Wiberg. Tetrahedron. 24, 1083–1096 (1968). doi:https://doi.org/10.1016/0040-4020(68)88057-3.
- J. Klein, H. Khartabil, J.C. Boisson, J. Contreras-Garciá, J.P. Piquemal and E. Hénon. J. Phys. Chem. A. 124, 1850–1860 (2020). doi:https://doi.org/10.1021/acs.jpca.9b09845.
- Gaussian16, Wallingford, CT, 2016.
- GaussView, Version 6.0. 16. 2016.
- A.D. Becke. Phys. Rev. A. 38, 3098–3100 (1988). doi:https://doi.org/10.1103/PhysRevA.38.3098.
- J.P. Perdew. Phys. Rev. B. 33, 8822–8824 (1986). doi:https://doi.org/10.1103/PhysRevB.33.8822.
- W.R. Wadt and P.J. Hay. J. Chem. Phys. 82, 284–298 (1985). doi:https://doi.org/10.1063/1.448800.
- S.G. Patra and D. Datta. Comput. Theor. Chem. 1130, 77–82 (2018). doi:https://doi.org/10.1016/j.comptc.2018.03.012.
- H. Chermette. J. Comput. Chem. 20, 129–154 (1999). doi:https://doi.org/10.1002/(SICI)1096-987X(19990115)20:1<129::AID-JCC13>3.0.CO;2-A.
- M. Ponce-Vargas, C. Lefebvre, J.C. Boisson and E. Hénon. J. Chem. Inf. Model. 60, 268–278 (2020). doi:https://doi.org/10.1021/acs.jcim.9b01016.
- C. Lefebvre, H. Khartabil, J.C. Boisson, J. Contreras-García, J.P. Piquemal and E. Hénon. ChemPhysChem. 19, 724–735 (2018). doi:https://doi.org/10.1002/cphc.201701325.
- C. Lefebvre, G. Rubez, H. Khartabil, J.C. Boisson, J. Contreras-García and E. Hénon. Phys. Chem. Chem. Phys. 19, 17928–17936 (2017). doi:https://doi.org/10.1039/C7CP02110K.
- D.M. Allen. Technometrics. 16, 125–127 (1974). doi:https://doi.org/10.1080/00401706.1974.10489157.
- N. Cabrera, J.R. Mora, E. Márquez, V. Flores-Morales, L. Calle and E. Cortés. SAR QSAR Environ. Res. 32, 29–50 (2020). doi:https://doi.org/10.1080/1062936X.2020.1848914.
- E. Cortes, J. Mora and E. Márquez. Cryst. 10 (10), 692 (2020). doi:https://doi.org/10.3390/cryst10080692.
- S.A. Cuesta, J.R. Mora and E.A. Márquez. Mol. 2021. 26, 1100 (2021). doi:https://doi.org/10.3390/molecules26041100.
- F. Liu, C. Cao and B. Cheng. Int. J. Mol. Sci. 12, 2448–2462 (2011). doi:https://doi.org/10.3390/ijms12042448.
- M.A. Halcrow. Chem. Soc. Rev. 42, 1784–1795 (2013). doi:https://doi.org/10.1039/C2CS35253B.
- A.L. Companion and M.A. Komarynsky. J. Chem. Educ. 41, 257–262 (1964). doi:https://doi.org/10.1021/ed041p257.
- M. Dalal, A Textbook of Inorganic Chemistry, Volume 1, 1st ed. (Dalal Institute, Rohtak, 2019).
- O.A. Qamar, C. Cong and H. Ma. Dalt. Trans. 49, 17106–17114 (2020). doi:https://doi.org/10.1039/D0DT03421E.
- S. Saha, A. Bengtson, K.L. Crispin, J.A. Van Orman and D. Morgan. Phys. Rev. B - Condens. Matter Mater. Phys. 84, 184102 (2011). doi:https://doi.org/10.1103/PhysRevB.84.184102.