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24. Laurent AD, Jacquemin D (2013) Int J Quantum Chem 113:2019
25. Ziegler T, Krykunov M, Cullen J (2012) J Chem Phys 136:124107
26. Tomasi J, Mennucci B, Cammi R (2005) Chem Rev 105:2999
27. Jacquemin D, Mennucci B, Adamo C (2011) Phys Chem Chem Phys 13:16987
28. Cammi R, Mennucci B (1999) J Chem Phys 110:9877
29. Cossi M, Barone V (2001) J Chem Phys 115:4708
30. Caricato M, Mennucci B, Tomasi J, Ingrosso F, Cammi R, Corni S, Scalmani G (2006) J
Chem Phys 124:124520
31. Improta R, Scalmani G, Frisch MJ, Barone V (2007) J Chem Phys 127:074504
32. Marenich AV, Cramer CJ, Truhlar DG, Guido CG, Mennucci B, Scalmani G, Frisch MJ
(2011) Chem Sci 2:2143
33. Jacquemin D, Zhao Y, Valero R, Adamo C, Ciofini I, Truhlar DG (2012) J Chem Theory
Comput 8:1255
34. Chibani S, Charaf-Eddin A, Le Guennic B, Jacquemin D (2013) J Chem Theory Comput
9:3127
35. Chibani S, Charaf-Eddin A, Mennucci B, Le Guennic B, Jacquemin D (2014) J Chem Theory
Comput 10(2):805
36. Andersson K, Malmqvist P, Roos BO (1992) J Chem Phys 96(2):1218 http://scitation.aip.org/
content/aip/journal/jcp/96/2/10.1063/1.462209
37. Buenker RJ, Peyerimhoff SD (1968) Theor Chim Acta 12(3):183
38. Stanton JF, Bartlett RJ (1993) J Chem Phys 98(9):7029
39. Christiansen O, Koch H, Jørgensen P (1995) Chem Phys Lett 243:409
40. Ka ´llay M, Gauss J (2004) J Chem Phys 121(19):9257
41. Ha ¨ttig C, Weigend F (2000) J Chem Phys 113:5154
42. Nakatsuji H, Ehara M (1993) J Chem Phys 98:7179
43. Schirmer J, Trofimov AB (2004) J Chem Phys 120:11449
44. Head-Gordon M, Maurice D, Oumi M (1995) Chem Phys Lett 246:114
45. Rhee YM, Head-Gordon M (2007) J Phys Chem A 111(24):5314
46. Boulanger P, Chibani S, Le Guennic B, Duchemin I, Blase X, Jacquemin D (2014) J Chem
Theory Comput 10(10):4548
47. Chibani S, Laurent AD, Le Guennic B, Jacquemin D (2014) J Chem Theory Comput 10:4574
48. Guthmuller J, Zutterman F, Champagne B (2009) J Chem Phys 131:154302
49. Improta R, Barone V (2009) J Mol Struct (THEOCHEM) 914(1–3):87
50. Avila Ferrer FJ, Improta R, Santoro F, Barone V (2011) Phys Chem Chem Phys 13(38):17007
51. Avila Ferrer FJ, Santoro F (2012) Phys Chem Chem Phys 14(39):13549
52. Becke AD (1993) J Chem Phys 98:5648
53. Adamo C, Barone V (1999) J Chem Phys 110:6158
54. Yanai T, Tew DP, Handy NC (2004) Chem Phys Lett 393:51
55. Chai JD, Head-Gordon M (2008) Phys Chem Chem Phys 10:6615
56. Peach MJG, Benfield P, Helgaker T, Tozer DJ (2008) J Chem Phys 128:044118
57. Picconi D, Avila Ferrer FJ, Improta R, Lami A, Santoro F (2013) Faraday Discuss 163:223
58. Ciofini I, Adamo C (2007) J Phys Chem A 111:5549
59. Becke AD (1988) Phys Rev A 38:3098
60. Lee C, Yang W, Parr RG (1988) Phys Rev B 37:785
61. Perdew JP, Burke K, Ernzerhof M (1996) Phys Rev Lett 77:3865
62. Ernzerhof M, Scuseria GE (1999) J Chem Phys 110:5029
63. Zhao Y, Truhlar DG (2008) Acc Chem Res 41:157
64. Zhao Y, Truhlar DG (2008) Theor Chem Accounts 120:215
65. Goerigk L, Moellmann J, Grimme S (2009) Phys Chem Chem Phys 11:4611
66. Send R, Ku ¨hn M, Furche F (2011) J Chem Theory Comput 7(8):2376
372
D. Jacquemin and C. Adamo
Ferre ´ N, Filatov M, Huix-Rotllant M (eds) Topics in current chemistry. Springer, Berlin/
Heidelberg, pp 1–30. doi:10.1007/128_2014_605
24. Laurent AD, Jacquemin D (2013) Int J Quantum Chem 113:2019
25. Ziegler T, Krykunov M, Cullen J (2012) J Chem Phys 136:124107
26. Tomasi J, Mennucci B, Cammi R (2005) Chem Rev 105:2999
27. Jacquemin D, Mennucci B, Adamo C (2011) Phys Chem Chem Phys 13:16987
28. Cammi R, Mennucci B (1999) J Chem Phys 110:9877
29. Cossi M, Barone V (2001) J Chem Phys 115:4708
30. Caricato M, Mennucci B, Tomasi J, Ingrosso F, Cammi R, Corni S, Scalmani G (2006) J
Chem Phys 124:124520
31. Improta R, Scalmani G, Frisch MJ, Barone V (2007) J Chem Phys 127:074504
32. Marenich AV, Cramer CJ, Truhlar DG, Guido CG, Mennucci B, Scalmani G, Frisch MJ
(2011) Chem Sci 2:2143
33. Jacquemin D, Zhao Y, Valero R, Adamo C, Ciofini I, Truhlar DG (2012) J Chem Theory
Comput 8:1255
34. Chibani S, Charaf-Eddin A, Le Guennic B, Jacquemin D (2013) J Chem Theory Comput
9:3127
35. Chibani S, Charaf-Eddin A, Mennucci B, Le Guennic B, Jacquemin D (2014) J Chem Theory
Comput 10(2):805
36. Andersson K, Malmqvist P, Roos BO (1992) J Chem Phys 96(2):1218 http://scitation.aip.org/
content/aip/journal/jcp/96/2/10.1063/1.462209
37. Buenker RJ, Peyerimhoff SD (1968) Theor Chim Acta 12(3):183
38. Stanton JF, Bartlett RJ (1993) J Chem Phys 98(9):7029
39. Christiansen O, Koch H, Jørgensen P (1995) Chem Phys Lett 243:409
40. Ka ´llay M, Gauss J (2004) J Chem Phys 121(19):9257
41. Ha ¨ttig C, Weigend F (2000) J Chem Phys 113:5154
42. Nakatsuji H, Ehara M (1993) J Chem Phys 98:7179
43. Schirmer J, Trofimov AB (2004) J Chem Phys 120:11449
44. Head-Gordon M, Maurice D, Oumi M (1995) Chem Phys Lett 246:114
45. Rhee YM, Head-Gordon M (2007) J Phys Chem A 111(24):5314
46. Boulanger P, Chibani S, Le Guennic B, Duchemin I, Blase X, Jacquemin D (2014) J Chem
Theory Comput 10(10):4548
47. Chibani S, Laurent AD, Le Guennic B, Jacquemin D (2014) J Chem Theory Comput 10:4574
48. Guthmuller J, Zutterman F, Champagne B (2009) J Chem Phys 131:154302
49. Improta R, Barone V (2009) J Mol Struct (THEOCHEM) 914(1–3):87
50. Avila Ferrer FJ, Improta R, Santoro F, Barone V (2011) Phys Chem Chem Phys 13(38):17007
51. Avila Ferrer FJ, Santoro F (2012) Phys Chem Chem Phys 14(39):13549
52. Becke AD (1993) J Chem Phys 98:5648
53. Adamo C, Barone V (1999) J Chem Phys 110:6158
54. Yanai T, Tew DP, Handy NC (2004) Chem Phys Lett 393:51
55. Chai JD, Head-Gordon M (2008) Phys Chem Chem Phys 10:6615
56. Peach MJG, Benfield P, Helgaker T, Tozer DJ (2008) J Chem Phys 128:044118
57. Picconi D, Avila Ferrer FJ, Improta R, Lami A, Santoro F (2013) Faraday Discuss 163:223
58. Ciofini I, Adamo C (2007) J Phys Chem A 111:5549
59. Becke AD (1988) Phys Rev A 38:3098
60. Lee C, Yang W, Parr RG (1988) Phys Rev B 37:785
61. Perdew JP, Burke K, Ernzerhof M (1996) Phys Rev Lett 77:3865
62. Ernzerhof M, Scuseria GE (1999) J Chem Phys 110:5029
63. Zhao Y, Truhlar DG (2008) Acc Chem Res 41:157
64. Zhao Y, Truhlar DG (2008) Theor Chem Accounts 120:215
65. Goerigk L, Moellmann J, Grimme S (2009) Phys Chem Chem Phys 11:4611
66. Send R, Ku ¨hn M, Furche F (2011) J Chem Theory Comput 7(8):2376
372
D. Jacquemin and C. Adamo