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62. Mayou D, Zhou Y, Ernzerhof M (2013) J Phys Chem C 117:7870
63. Bendikov M, Duong HM, Starkey K, Houk KN, Carter EA, Wudl F (2004) J Am Chem Soc
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66. Hachmann J, Dorando JJ, Avilés M, Chan GK-L (2007) J Chem Phys 127:134309
67. Hajgato B, Huzak M, Deleuze MS (2011) J Phys Chem A 115:9282
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70. Pardo E, Carrasco R, Ruiz-Garcia R, Julve M, Lloret F, Munoz MC, Journaux Y, Ruiz E,
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71. Ferrando-Soria J, Castellano M, Yuste C, Lloret F, Julve M, Fabelo O, Ruiz-Perez C,
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72. Terencio T, Bastardis R, Suaud N, Maynau D, Bonvoisin J, Calzado CJ, Malrieu J-P, Guihéry
N (2011) Phys Chem Chem Phys 13:12314
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395
Barone V, Mennucci B, Petersson GA, Nakatsuji H, Caricato M, Li X, Hratchian HP,
Izmaylov AF, Bloino J, Zheng G, Sonnenberg JL, Hada M, Ehara M, Toyota K, Fukuda R,
Hasegawa J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Vreven T, Montgomery
Jr JA, Peralta JE, Ogliaro F, Bearpark M, Heyd JJ, Brothers E, Kudin KN, Staroverov VN,
Kobayashi R, Normand J, Raghavachari K, Rendell A, Burant JC, Iyengar SS, Tomasi J,
Cossi M, Rega N, Millam JM, Klene M, Knox JE, Cross JB, Bakken V, Adamo C, Jaramillo J,
Gomperts R, Stratmann RE, Yazyev O, Austin AJ, Cammi R, Pomelli C, Ochterski JW,
Martin RL, Morokuma K, Zakrzewski VG, Voth GA, Salvador P, Dannenberg JJ, Dapprich S,
Daniels AD, Farkas O, Foresman JB, Ortiz JV, Cioslowski J, Fox DJ, Gaussian 09
Revision A.02. (2009) Gaussian Inc. Wallingford CT
62. Mayou D, Zhou Y, Ernzerhof M (2013) J Phys Chem C 117:7870
63. Bendikov M, Duong HM, Starkey K, Houk KN, Carter EA, Wudl F (2004) J Am Chem Soc
126:7416–7417
64. Dos Santos MC (2006) Phys Rev B 74:045426–045429
65. Jiang D, Dai S (2008) J Phys Chem A 112:332–335
66. Hachmann J, Dorando JJ, Avilés M, Chan GK-L (2007) J Chem Phys 127:134309
67. Hajgato B, Huzak M, Deleuze MS (2011) J Phys Chem A 115:9282
68. Ali ME, Datta SN (2006) J Phys Chem A 110:2776, 13232
69. Lahti PM, Ichimura S, Sanborn JA (2001) J Phys Chem A 105:151
70. Pardo E, Carrasco R, Ruiz-Garcia R, Julve M, Lloret F, Munoz MC, Journaux Y, Ruiz E,
Cano J (2008) J Amer Chem Soc 130:576
71. Ferrando-Soria J, Castellano M, Yuste C, Lloret F, Julve M, Fabelo O, Ruiz-Perez C,
Stiriba SE, Ruiz-Garcıa R, Cano J (2010) Inorg Chim Acta 363:1666
72. Terencio T, Bastardis R, Suaud N, Maynau D, Bonvoisin J, Calzado CJ, Malrieu J-P, Guihéry
N (2011) Phys Chem Chem Phys 13:12314
14 Magnetic Properties of Conjugated Hydrocarbons …
395