60. Send R, Sundholm D (2007) J Phys Chem A 111:8766
61. Tapavicza EE, Tavernelli I, R€ othlisberger U, Filippi C, Casida ME (2008) J Chem Phys
129:124108
62. Baranovskii VI, Sizova OV (2008) J Struct Chem 49:803
63. Delchev VB, Ivanova IP (2012) Monatshefte Chem 143:1141
64. Malis ˇ M, Loquais Y, Gloaguen E, Biswal HS, Piuzzi F, Tardivel B, Brenner V, Broquier M,
Jouvet C, Mons M, Dos ˇlic ´ N, Ljubic ´ I (2012) J Am Chem Soc 134:20340
65. Baranovskii VI, Mal’tsev DA, Sizova OV (2013) Russ Chem Bull 61:973
66. Kumar A, Sevilla MD (2013) Photochem Photobiol Sci 12:1328
67. Zwijnenburg MA (2013) Phys Chem Chem Phys 15:11119
68. Moreno M, Ortiz-Sanchez JM, Gelabert R, Lluch JM (2013) Phys Chem Chem Phys
15:20236
69. Kobayashi R, Amos RD (2013) Mol Phys 111:1574
70. Talhi O, Lopes GR, Santos SM, Pinto DCGA, Silva AMS (2014) J Phys Org Chem 27:756
71. Wiebeler C, Bader CA, Meier C, Schumacher S (2014) Phys Chem Chem Phys 16:14531
72. Belfon KAA, Gough JD (2014) Chem Phys Lett 593:174
73. Baranovskii VI, Maltsev DA (2014) Comp Theor Chem 1043:71
74. Yarkony DR (2001) J Phys Chem A 105:6277
75. Yarkony DR (2000) J Chem Phys 112:2111
76. Toniolo A, Ben-Nun M, Martı ´nez TJ (2002) J Phys Chem A 106:4679
77. Maeda S, Ohno K, Morokuma K (2010) J Chem Theory Comput 6:1538
78. Bonac ˇic ´-Koutecky ´ V, Koutecky ´ J, Michl J (1987) Angew Chem Int Ed 26:170
79. Haas Y, Cogan S, Zilberg S (2005) Int J Quant Chem 102:961
80. Dick B, Haas Y, Zilberg S (2008) Chem Phys 347:65
81. Filatov M, Olivucci M (2014) J Org Chem 79:3587
82. Schipper PRT, Gritsenko OV, Baerends EJ (1998) Theor Chem Acc 99:329
83. Schipper PRT, Gritsenko OV, Baerends EJ (1999) J Chem Phys 111:4056
84. Morrison RC (2002) J Chem Phys 117:10506
85. Salem L, Rowland C (1972) Angew Chem Int Ed 11:92
86. Ziegler T, Rauk A, Baerends EJ (1977) Theor Chim Acta 43:261
87. Filatov M, Shaik S (1998) Chem Phys Lett 288:689
88. Krykunov M, Ziegler T (2013) J Chem Theory Comput 9:2761
89. Krykunov M, Seth M, Ziegler T (2014) J Chem Phys 140:18A502
90. Filatov M, Huix-Rotllant M (2014) J Chem Phys 141:024112
91. Filatov M (2014) J Chem Phys 141:124123
92. Maitra NT, Zhang F, Cave R, Burke K (2004) J Chem Phys 120:5932
93. Cave RJ, Zhang F, Maitra NT, Burke K (2004) Chem Phys Lett 389:39
94. Huix-Rotllant M, Ipatov A, Rubio A, Casida ME (2011) Chem Phys 391:120
95. Cordova F, Doriol LJ, Ipatov A, Casida ME, Filippi C, Vela A (2007) J Chem Phys
127:164111
96. Xu X, Gozem S, Olivucci M, Truhlar DG (2013) J Phys Chem Lett 4:253
97. Yarkony DR (1999) J Phys Chem A 103:6658
98. Gozem S, Schapiro I, Ferre ´ N, Olivucci M (2012) Science 337:1225
99. Schreiber M, Silva-Junior MR, Sauer SPA, Thiel W (2008) J Chem Phys 128:134110
100. Leopold DG, Hemley RJ, Vaida V, Roebber JL (1981) J Chem Phys 75:4758
101. Valsson O, Angeli C, Filippi C (2012) Phys Chem Chem Phys 14:11015
102. Chiang SY, Bahou M, Wu YJ, Lee YP (2002) J Chem Phys 117:4306
103. Rice JK, Baronavski AP (1992) J Phys Chem 96:3359
104. Filippi C, Zaccheddu M, Buda F (2009) J Chem Theory Comput 5:2074
105. Ben-Nun M, Martı ´nez TJ (2000) Chem Phys 259:237
106. Quenneville J, Martı ´nez TJ (2003) J Phys Chem A 107:829
Description of Conical Intersections with Density Functional Methods
475
61. Tapavicza EE, Tavernelli I, R€ othlisberger U, Filippi C, Casida ME (2008) J Chem Phys
129:124108
62. Baranovskii VI, Sizova OV (2008) J Struct Chem 49:803
63. Delchev VB, Ivanova IP (2012) Monatshefte Chem 143:1141
64. Malis ˇ M, Loquais Y, Gloaguen E, Biswal HS, Piuzzi F, Tardivel B, Brenner V, Broquier M,
Jouvet C, Mons M, Dos ˇlic ´ N, Ljubic ´ I (2012) J Am Chem Soc 134:20340
65. Baranovskii VI, Mal’tsev DA, Sizova OV (2013) Russ Chem Bull 61:973
66. Kumar A, Sevilla MD (2013) Photochem Photobiol Sci 12:1328
67. Zwijnenburg MA (2013) Phys Chem Chem Phys 15:11119
68. Moreno M, Ortiz-Sanchez JM, Gelabert R, Lluch JM (2013) Phys Chem Chem Phys
15:20236
69. Kobayashi R, Amos RD (2013) Mol Phys 111:1574
70. Talhi O, Lopes GR, Santos SM, Pinto DCGA, Silva AMS (2014) J Phys Org Chem 27:756
71. Wiebeler C, Bader CA, Meier C, Schumacher S (2014) Phys Chem Chem Phys 16:14531
72. Belfon KAA, Gough JD (2014) Chem Phys Lett 593:174
73. Baranovskii VI, Maltsev DA (2014) Comp Theor Chem 1043:71
74. Yarkony DR (2001) J Phys Chem A 105:6277
75. Yarkony DR (2000) J Chem Phys 112:2111
76. Toniolo A, Ben-Nun M, Martı ´nez TJ (2002) J Phys Chem A 106:4679
77. Maeda S, Ohno K, Morokuma K (2010) J Chem Theory Comput 6:1538
78. Bonac ˇic ´-Koutecky ´ V, Koutecky ´ J, Michl J (1987) Angew Chem Int Ed 26:170
79. Haas Y, Cogan S, Zilberg S (2005) Int J Quant Chem 102:961
80. Dick B, Haas Y, Zilberg S (2008) Chem Phys 347:65
81. Filatov M, Olivucci M (2014) J Org Chem 79:3587
82. Schipper PRT, Gritsenko OV, Baerends EJ (1998) Theor Chem Acc 99:329
83. Schipper PRT, Gritsenko OV, Baerends EJ (1999) J Chem Phys 111:4056
84. Morrison RC (2002) J Chem Phys 117:10506
85. Salem L, Rowland C (1972) Angew Chem Int Ed 11:92
86. Ziegler T, Rauk A, Baerends EJ (1977) Theor Chim Acta 43:261
87. Filatov M, Shaik S (1998) Chem Phys Lett 288:689
88. Krykunov M, Ziegler T (2013) J Chem Theory Comput 9:2761
89. Krykunov M, Seth M, Ziegler T (2014) J Chem Phys 140:18A502
90. Filatov M, Huix-Rotllant M (2014) J Chem Phys 141:024112
91. Filatov M (2014) J Chem Phys 141:124123
92. Maitra NT, Zhang F, Cave R, Burke K (2004) J Chem Phys 120:5932
93. Cave RJ, Zhang F, Maitra NT, Burke K (2004) Chem Phys Lett 389:39
94. Huix-Rotllant M, Ipatov A, Rubio A, Casida ME (2011) Chem Phys 391:120
95. Cordova F, Doriol LJ, Ipatov A, Casida ME, Filippi C, Vela A (2007) J Chem Phys
127:164111
96. Xu X, Gozem S, Olivucci M, Truhlar DG (2013) J Phys Chem Lett 4:253
97. Yarkony DR (1999) J Phys Chem A 103:6658
98. Gozem S, Schapiro I, Ferre ´ N, Olivucci M (2012) Science 337:1225
99. Schreiber M, Silva-Junior MR, Sauer SPA, Thiel W (2008) J Chem Phys 128:134110
100. Leopold DG, Hemley RJ, Vaida V, Roebber JL (1981) J Chem Phys 75:4758
101. Valsson O, Angeli C, Filippi C (2012) Phys Chem Chem Phys 14:11015
102. Chiang SY, Bahou M, Wu YJ, Lee YP (2002) J Chem Phys 117:4306
103. Rice JK, Baronavski AP (1992) J Phys Chem 96:3359
104. Filippi C, Zaccheddu M, Buda F (2009) J Chem Theory Comput 5:2074
105. Ben-Nun M, Martı ´nez TJ (2000) Chem Phys 259:237
106. Quenneville J, Martı ´nez TJ (2003) J Phys Chem A 107:829
Description of Conical Intersections with Density Functional Methods
475