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M. Gussoni, R. Rui, G. Zerbi, J. Mol. Struct. 447, 163–215 (1998)
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G. Henkelman, A. Arnaldsson, H. Jónsson, Comput. Mat. Sci. 36, 354–360 (2006)
R. Hoffmann, J. Chem. Phys. 39, 1397–1412 (1963)
K.N. Houk, J. Am. Chem. Soc. 95, 4092–4094 (1973)
J.B. Huntington, Solid State Physics, vol. 7, ed. by F. Seitz, D. Turnbull (Academic, New York,
1958)
T. Ikeda, H. Adachi, H. Fueno, K. Tanaka, T. Haino, J. Org. Chem. 82, 10062–10069 (2017)
A. Ito, H. Miyajima, K. Yoshizawa, K. Tanaka, T. Yamabe, J. Org. Chem. 62, 38–43 (1997)
A. Ito, A. Taniguchi, K. Yoshizawa, K. Tanaka, T. Yamabe, Bull. Chem. Soc. Jpn 71, 337–343
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L. Itzhaki, E. Altus, H. Basch, S. Hoz, Angew. Chem. Int. Ed. 44, 7432–7435 (2005)
T. Iwamoto, M. Tamura, C. Kabuto, M. Kira, Science 290, 504–506 (2000)
J.F. Janak, Phys. Rev. B 103, 7165–7168 (1978)
K. Kitaura, K. Morokuma, Intern. J. Quantum Chem. 10, 325–340 (1976)
M. Kobayashi, N. Hayakawa, T. Matsuo, B. Li, T. Fukunaga, D. Hashizume, H. Fueno, K. Tanaka,
K. Tamao, J. Am. Chem. Soc. 138, 758–761 (2016)
T. Koopmans, Physica 1, 104–113 (1934)
P. Krishnakumar, D.K. Maity, Comp. Theor. Chem. 1099, 185–194 (2017)
H.W. Kroto, J.R. Heath, S.C. O’Briene, R.F. Curl, R.E. Smalley, Nature 318, 162–163 (1985)
K. Larsson, Ark. Kemi. 16, 215–219 (1960)
J. Lee, H.-J. Cho, B.-J. Jung, N.-S. Cho, H.-K. Shim, Macromolecules 37, 8523–8529 (2004)
F. Li, D. Ramage, J.S. Lannin, J. Conceicao, Phys. Rev. B 44, 13167–13170 (1991)
G. van Lier, C. van Alsenoy, V. van Doren, P. Geerlings, Chem. Phys. Lett. 326, 180–185 (2000)
P.-O. Löwdin, Phys. Rev. 97, 1474–1489 (1955)
M. Mattori, K. Mogi, Y. Sakai, and T. Isobe, J. Phys. Chem. A 104, 10868–10872 (2000)
S. Maeda, Y. Harabuchi, Y. Ono, T. Takeguchi, K. Morokuma, Int. J. Quantum Chem. 115, 258–269
(2015)
S. Maeda, K. Ohno, J. Chem. Phys. 124(174306), 1–7 (2006)
T. Matsumoto, K. Tanaka, K. Tanaka, Y. Chujo, Dalton Trans. 44, 8697–8707 (2015)
H. Mayr, M. Breugst, A.R. Ofial, Angew. Chem. Int. Ed. 50, 6470–6505 (2011)
T. Miyahara, H. Nakatsuji, H. Sugiyama, J. Phys. Chem. A 117, 42–55 (2013)
M. Montalti, A. Credi, L. Prodi, M.T. Gandolfi (eds.), Handbook of Photochemistry, 3rd edn. (CRC
Press, Boca Raton, Fl, 2006), p. 619
K. Morokuma, Acc. Chem. Res. 10, 294–300 (1977)
M. Moteki, S. Maeda, K. Ohno, Organometallics 28, 2218–2224 (2009)
R.S. Mulliken, J. Chem. Phys. 2, 782–793 (1934)
R.S. Mulliken, J. Chem. Phys. 23, 1833–1840 (1952)
R.S. Mulliken, J. Chem. Phys. 23, 1841–1846 (1955)