[1] Monkhorst HJ (1968) Chem. Commun. 1111–1112.
[2] Hoffmann R, Alder W, Wilcox CF (1970) J. Am. Chem. Soc. 92: 4992–4993.
[3] Vassilev-Galindo V, Pan S, Donald KJ, Merino G, (2018) Nat. Rev. Chem. 2: 0114.
[4] Collins JB, Dill JD, Jemmis ED, Apeloig Y, Schleyer PVR, Seeger R, Pople JA, (1976) J. Am. Chem. Soc, 98: 5419.
[5] Cotton FA, Miller M (1977) J. Am. Chem. Soc., 99: 7886.
[6] Yang LM, Ganz E, Chen ZF, Wang ZW, Schleyer PvR (2015) Angew. Chem., Int. Ed., 54: 9468−9501.
[7] Sorger K, Schleyer PvR (1995) J. Mol. Struct.: THEOCHEM, 338: 317−346.
[8] Radom L, Rasmussen DR (1998) Pure Appl. Chem., 70: 1977−1984.
[9] Siebert W, Gunale A (1999) Chem. Soc. Rev., 28: 367−371.
[10] Keese R (2006) Chem. Rev. 106: 4787−4808.
[11] Exner K, Schleyer PvR (2000) Science 290: 1937.
[12] Averkiev BB, Zubarev DY, Wang LM, Huang W, Wang LS, Boldyrev AI (2008) J. Am. Chem. Soc. 130: 9248.
[13] Guo JC, Feng LY, Barroso J, Merino G, Zhai H (2020) Chem. Commun., 56: 8305−8308.
[14] Pei Y, An W, Ito K, Schleyer PvR, Zeng XC (2008) J. Am. Chem. Soc., 130: 10394–10400.
[15] Perra LL, Diego L, Yaňez O, Inostroza D, Barroso J, Espinal AV, Merino G, Tiznado W (2021) Angew. Chem. Int. Ed. DOI: 10.1002/anie.202100940.
[16] Bonacic-Koutecky V, Fantucci PJ (1991) Chem. Rev., 91: 1035 and references therein.
[17] (a) Gu FL, Yang XM, Tang AC, Jiao HJ, Schleyer PvR (1998) J. Co mput. Chem., 19: 203; (b) Rasul R, Olah GA (2001) Inorg. Chem. 40: 2453-2456.
[18] Gribanova TN, Minyaev RM, Minkin VI (2001) Mendeleev Commun., 11: 169.
[19] Zhai HJ, Alexandrova AN, Birch KA, Boldyrev AI, Wang LS (2003) Angew. Chem. Int. Ed., 42: 6004.
[20] Pei Y, Zeng XC (2008) J. Am. Chem. Soc. 130: 2580.
[21] Aihara JI, Kanno H, Ishida T (2005) J. Am. Chem. Soc. 127: 13324.
[22] Ricca A, Bauschlicher CW (1997) J. Chem. Phys., 106: 2317.
[23] (a) Curtiss LA, Pople JA (1989) J. Chem. Phs., 91: 4809; (b) Lee DY, Martin JC, (1984) J. Am. Chem. Soc. 106: 5745-5746.
[24] Yu HL, Sang RL, Wu YY (2009) J. Phys. Chem. A 113: 3382−3386.
[25] Kalita AJ, Rohman SS, Kashyap C, Ullah SS, Guha AK (2020) Chem. Commun. 56: 12597.
[26] Krogh-Jespersen MB, Chandrasekhar J, Wuerthwein EU, Collins JB, Schleyer PvR (1980) J. Am. Chem. Soc. 102: 2263−2268.
[27] Ebner F, Wadepohl H, Greb L (2019) J. Am. Chem. Soc. 141: 18009−18012.
[28] Thompson EJ, Myers TW, Berben LA (2014) Angew. Chem., Int. Ed. 53: 14132−14134.
[29] Averkiev BB, Boldyrev AI (2008) Russ. J. Gen. Chem. 78: 769-773.
[30] (a) Alexandrova AN, Boldyrev AI, Zhai HJ, Wang LS (2006) Coord. Chem. Rev. 250: 2811-2866; (b) Zubarev D, Boldyrev AI (2007) J. Comput. Chem., 28: 251-268.
[31] Zhang CL, Xu HG, Xu HL, Zheng WJ (2021) J. Phys. Chem. A, 125: 302–307.
[32] Wang M, Chen C, Pan S, Cui Z (2021) Chem. Sci. 12: 15067-15076.
[33] Zhang J, Dolg M (2015) Phys. Chem. Chem. Phys., 17: 24173-24181.
[34] Zhang J, Dolg M (2016) Phys. Chem. Chem. Phys., 18: 3003-3010.
[35] Zhao Y, Truhlar DG (2008) Theor. Chem. Acc.120: 215.
[36] Gaussian 16, Revision B.01, Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE,
Robb NA, Cheeseman JR, Scalmani G, Barone V, Petersson GA, Nakatsuji H, Li X, Caricato M, Marenich AV, Bloino J, Janesko BG, Gomperts R, Mennucci B, Hratchian HP, Ortiz JV, Izmaylov AF, Sonnenberg JL, Williams-Young D, Ding F, Lipparini F, Egidi F, Goings J, Peng B, Petrone A, Henderson T, Ranasinghe D, Zakrzewski VG, Gao J, Rega N, Zheng G, Liang W, Hada M, Ehara M, Toyota K, Fukuda R, Hasegawa J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Vreven Y,Throssell K, Montgomery JA, Jr., Peralta JE, Ogliaro F, Bearpark MJ, Heyd JJ, Brothers EN, Kudin KN, Staroverov VN, Keith TA, Kobayashi R, Normand J, Raghavachari K, Rendell AP, Burant JC, Iyengar SS, Tomasi J, Cossi M, Millam JM, Klene M, Adamo C, Cammi R, Ochterski JW, Martin RL, Morokuma K, Farkas O, Foresman JB and Fox DJ (2016) Gaussian, Inc., Wallingford CT.
[37] Reed AE, Weinhold F, Curtiss LA (1998) Chem. Rev. 88: 899-926.
[38] (a) Mitoraj MP, Michalak A, Ziegler TA (2009) J. Chem. Theory Comput., 5: 962–975; (b) Mitoraj MP, Michalak A (2007) J. mol. model. 13: 347-355.
[39] Zubarev DY, Boldyrev AI (2008) Phys. Chem. Chem. Phys. 10: 5207–5217.
[40] Bader RFW (1990), Oxford Univ. Press, Oxford.
[41] (a) Silvi B, Savin A (1994) Nature, 371: 683-686; (b) ) Becke AD, Edgecombe KE (1990) J. Chem. Phys. 92: 5397-5403.
[42] Lu T, Chen F (2012) J. Comput. Chem. 33: 580.
[43] Schleyer PvR, Maerker C, Dransfeld A, Jiao H, Hommes NJRvE (1996) J. Am. Chem. Soc., 118: 6317-6318.