References
- Bernardi , F , De , S , Olivucci , M and Robb , MA . 1990 . J. Am. Chem. Soc. , 112 : 1737
- Bernardi , F , Olivucci , M , Robb , MA and Tonachini , G . 1992 . J. Am. Chem. Soc. , 114 : 5805
- Sicilia , F , Blancafort , L , Bearpark , MJ and Robb , MA . 2008 . J. Chem. Theory Comput. , 4 : 257
- Bernardi , F , Olivucci , M and Robb , MA . 1992 . J. Am. Chem. Soc. , 114 : 1606
- Salem , L . 1982 . Electrons in Chemical Reactions: First Principles , New York : Wiley-Blackwell .
- Huisgen , R . 1968 . Angew. Chem. Int. Edit. , 7 : 321
- Woodward , RB and Hoffmann , R . 1969 . Angew. Chem. Int. Ed. , 8 : 781
- Bryce-Smith , D . 1973 . Pure Appl. Chem. , 34 : 193
- Bryce-Smith , D and Gilbert , A . 1976 . Tetrahedron , 32 : 1309
- Bryce-Smith , D and Gilbert , A . 1977 . Tetrahedron , 33 : 2459
- Mirbach , MF , Mirbach , MJ and Saus , A . 1977 . Tetrahedron Lett. , : 959
- Wender , PA , Ternansky , R , Delong , M , Singh , S , Olivero , A and Rice , K . 1990 . Pure Appl. Chem. , 62 : 1597
- Cornelisse , J . 1993 . Chem. Rev. , 93 : 615
- Streit , U and Bochet , CG . 2011 . Beilstein J. Org. Chem. , 7 : 525
- Clayden , J , Greeves , N , Warren , S and Wothers , P . 2001 . Organic Chemistry , Oxford : Oxford University Press .
- Chacko , A , Sterenberg , BT and East , ALL . 2011 . J. Phys. Chem. A , 115 : 4951
- Garcia , JI , Mayoral , JA and Salvatella , L . Chem. Comm. , 903 (1999), DOI: 10.1039/a901922g
- Hart , H , Miyashi , T , Buchanan , DN and Sasson , S . 1974 . J. Am. Chem. Soc. , 96 : 4857
- Wilson , EB and Wang , PSC . 1972 . Chem. Phys. Lett. , 15 : 400
- Coffey , P and Jug , K . 1974 . Theor. Chim. Acta , 34 : 213
- Jug , K and Kruger , HW . 1979 . Theor. Chim. Acta , 52 : 19
- Sandorfy , C . 1980 . Can. J. Chem. , 58 : 2409
- Evleth , EM and Kassab , E . 1983 . Can. J. Chem. , 61 : 306
- Bernardi , F , Bottoni , A , Robb , MA , Schlegel , HB and Tonachini , G . 1985 . J. Am. Chem. Soc. , 107 : 2260
- Bernardi , F , Olivucci , M , McDouall , JJW and Robb , MA . 1987 . J. Am. Chem. Soc. , 109 : 544
- Bernardi , F , Bottoni , A , Olivucci , M , Robb , MA , Schlegel , HB and Tonachini , G . 1988 . J. Am. Chem. Soc. , 110 : 5993
- Bernardi , F , Olivucci , M and Robb , MA . 1990 . Acct. Chem. Res. , 23 : 405
- Doubleday , C . 1993 . J. Am. Chem. Soc. , 115 : 11968
- Houk , KN , Beno , BR , Nendel , M , Black , K , Yoo , HY , Wilsey , S and Lee , JK . 1997 . J. Mol. Struc. (Theochem) , 398 : 169
- Sakai , S . 2002 . Int. J. Quantum Chem. , 90 : 549
- Benson , SW and Nangia , PS . 1963 . J. Chem. Phys. , 38 : 18
- Carr , RW and Walters , WD . 1963 . J. Phys. Chem. , 67 : 1370
- Rauk , A . 2001 . Orbital Interaction Theory of Organic Chemistry , 2nd , New York : John Wiley & Sons, Inc. .
- van der Lugt , WTAM and Oosterhoff , LJ . Chem. Comm. , 1235 (1968), DOI: 10.1039/c19680001235
- Van der Lugt , WTAM and Oosterhoff , LJ . 1969 . J. Am. Chem. Soc. , 91 : 6042
- Zimmerman , HE . 1966 . J. Am. Chem. Soc. , 88 : 1566
- Zimmerman , HE . 1966 . J. Am. Chem. Soc. , 88 : 1564
- Michl , J . 1972 . Mol. Photochem. , 4 : 243
- Eyring , H , Walter , J and Kimball , GE . 1948 . Quantum Chemistry , New York : John Wiley & Sons, Inc. .
- McWeeny , R . 1954 . Proc. Roy. Soc. London A Math. Phys. , 223 : 63
- McWeeny , R . 1954 . Proc. Roy. Soc. London A Math. Phys. , 223 : 306
- McWeeny , R . 1955 . Proc. Roy. Soc. London A Math. Phys. , 227 : 288
- McWeeny , R and Sutcliffe , BT . 1969 . Methods of Molecular Quantum Mechanics , New York : Academic Press .
- Shaik , S and Hiberty , PC . 2004 . Rev. Comput. Chem. , 20 : 1
- Levine , IN . 2000 . Quantum Chemistry , 5th , New Jersey : Prentice Hall .
- Bearpark , MJ and Robb , MA . 2007 . Reviews of Reactive Intermediate Chemistry , Inc., Hoboken, New Jersey : John Wiley & Sons .
- Bearpark , MJ , Deumal , M , Robb , MA , Vreven , T , Yamamoto , N , Olivucci , M and Bernardi , F . 1997 . J. Am. Chem. Soc. , 119 : 709
- Vanni , S , Garavelli , M and Robb , MA . 2008 . Chem. Phys. , 347 : 46
- Yarkony , DR . 2004 . Faraday Discuss. , 127 : 325
- Sicilia , F , Bearpark , MJ , Blancafort , L and Robb , MA . 2007 . Theor. Chem. Acc. , 118 : 241
- Sicilia , F , Blancafort , L , Bearpark , MJ and Robb , MA . 2007 . J. Phys. Chem. A , 111 : 2182
- Li , QS , Mendive-Tapia , D , Paterson , MJ , Migani , A , Bearpark , MJ , Robb , MA and Blancafort , L . 2010 . Chem. Phys. , 377 : 60
- M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G.A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H.P. Hratchian, A.F. Izmaylov, J. Bloino, G. Zheng, J.L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J.J.A. Montgomery, J.E. Peralta, F. Ogliaro, M. Bearpark, J.J. Heyd, E. Brothers, K.N. Kudin, V.N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J.C. Burant, S.S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J.M. Millam, M. Klene, J.E. Knox, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, R.L. Martin, K. Morokuma, V.G. Zakrzewski, G.A. Voth, P. Salvador, J.J. Dannenberg, S. Dapprich, P.V. Parandekar, N.J. Mayhall, A.D. Daniels, O. Farkas, J.B. Foresman, J.V. Ortiz, J. Cioslowski and D.J. Fox, Gaussian Development Version, Revision H.08 (Gaussian, Inc., Wallingford CT, 2009, 2010)