17. Motomura S, Nakano M, Fukui H, Yoneda K, Kubo T, Carion R, Champagne B (2011) Phys
Chem Chem Phys 13:20575–20583 and references therein
18. Landolt-Bornstein (2005) Nitroxide radicals and nitroxide based high-spin systems, vol 26.
Springer, Berlin
19. Rajca S, Rajca A, Wongsriratanakul J, Butler P, Choi S-M (2004) J Am Chem Soc 126:6972–
6986
20. Salem L (1966) The molecular orbital theory of conjugated systems. Benjamin Inc, New York
21. Ovchinnikov AA (1978) Theor Chim Acta 47:297–304
22. Malrieu J-P, Maynau D (1982) J Amer Chem Soc 104:3021–3029
23. Malrieu J-P (1982) D Maynau J Amer Chem Soc 104:3029–3034
24. Said M, Maynau D, Malrieu J-P, Garcia-Bach M-A (1984) J Am Chem Soc 106:571–579
25. Longuet-Higgins HC (1950) J Chem Phys 18:265
26. Borden WT (1982) Diradicals. Wiley-Interscience, New York
27. Du P, Borden WT (1987) J Am Chem Soc 109:930–931
28. Nicolaides A, Borden WT (1993) J Am Chem Soc 115:11951–11957
29. Borden WT, Iwamura H, Berson JA (1994) Acc Chem Res 27:109–116
30. Hrovat DA, Borden WT (1994) J Am Chem Soc 116:6327–6331
31. Fang S, Lee M-S, Hrovat DA, Borden WT (1995) J Am Chem Soc 117:6727–6731
32. Bally T, Borden WT (1993) In: Lipkowitz KB, Boyd DB (eds) Reviews in computational
chemistry, vol 13. Wiley-VCH, New York, pp 1–97
33. Lineberger WC, Borden WT (2011) Phys Chem Chem Phys 13:11792–11813
34. Trinquier G, Suaud N, Malrieu J-P (2010) Chem Eur J 16:8762–8772
35. Said M, Maynau D, Malrieu J-P (1984) J Am Chem Soc 106:580
36. Lieb EH (1989) Phys Rev Lett 62:1201–1204
37. Caballol R, Castell O, Illas F, de Moeira IPR, Malrieu J-P (1997) J Phys Chem A 101:7860–
7866
38. Thiele J, Balhorn H (1904) Chem Ber 37:1463–1470
39. Chichibabin AE (1907) Chem Ber 40:1810–1819
40. Montgomery LK, Huffman JC, Jurczak EA, Grendze MP (1986) J Am Chem Soc 108:6004–
6011
41. Muller E, Pfanz H (1941) Chem Ber 74:1051
42. Shishlov NM, Asfandiarov NL (2000) Russ Chem Bull Int Ed 40:1676–1681
43. For a recent theoretical study of the series see, Trinquier G, Malrieu J-P (2015) Chem Eur J
21:814–828
44. Abe M (2013) Chem Rev 113:7011–7088
45. Filatov M, Shaik S (1999) J Phys Chem A 103:8885–8889
46. Rodríguez E, Reguero M, Caballol R (2000) J Phys Chem A 104:6253–6258
47. Pozun ZD, Su X, Jordan KD (2013) J Am Chem Soc 135:13862–13869
48. McConnell HM (1956) J Chem Phys 24:764
49. Bernsohn R (1956) J Chem Phys 24:1066
50. Yamaguchi K, Takahara Y, Fueno T (1986) In: Smith VH (ed) Applied quantum chemistry.
Reidel, Dordrecht, p 155
51. Soda T, Kitagawa Y, Onishi T, Takano T, Shigeta Y, Nagao H, Yoshioka Y, Yamaguchi K
(2000) Chem Phys Lett 319:223–230
52. Malrieu J-P, Ferré N, Guihéry N (2015) Phys Chem Chem Phys 17:14375
53. De Loth P, Cassoux P, Daudey J-P, Malrieu J-P (1981) J Amer Chem Soc 103:4007
54. Calzado CJ, Cabrero J, Malrieu J-P, Caballol R (2002) J Chem Phys 116:2728
55. Coulaud E, Guihéry N, Malrieu J-P, Hagenbaum-Reignier D, Siri D, Ferré N (2012) J Chem
Phys 137:114106
56. Coulaud E, Malrieu J-P, Guihéry N, Ferré N (2013) J Comput Theory Chem 9:3429
57. Borden WT, Davidson ER, Feller D (1982) Tetraedron 38:737–739
58. Borden WT, Davidson ER (1996) Acc Chem Res 29:67–75
59. Suaud N, Ruamps R, Guihéry N, Malrieu J-P (2012) J Chem Theory Comput 8:4127–4137
60. Suaud N, Ruamps R, Malrieu J-P, Guihéry N (2014) J Phys Chem A 118:5876
394
J.-P. Malrieu et al.
Chem Chem Phys 13:20575–20583 and references therein
18. Landolt-Bornstein (2005) Nitroxide radicals and nitroxide based high-spin systems, vol 26.
Springer, Berlin
19. Rajca S, Rajca A, Wongsriratanakul J, Butler P, Choi S-M (2004) J Am Chem Soc 126:6972–
6986
20. Salem L (1966) The molecular orbital theory of conjugated systems. Benjamin Inc, New York
21. Ovchinnikov AA (1978) Theor Chim Acta 47:297–304
22. Malrieu J-P, Maynau D (1982) J Amer Chem Soc 104:3021–3029
23. Malrieu J-P (1982) D Maynau J Amer Chem Soc 104:3029–3034
24. Said M, Maynau D, Malrieu J-P, Garcia-Bach M-A (1984) J Am Chem Soc 106:571–579
25. Longuet-Higgins HC (1950) J Chem Phys 18:265
26. Borden WT (1982) Diradicals. Wiley-Interscience, New York
27. Du P, Borden WT (1987) J Am Chem Soc 109:930–931
28. Nicolaides A, Borden WT (1993) J Am Chem Soc 115:11951–11957
29. Borden WT, Iwamura H, Berson JA (1994) Acc Chem Res 27:109–116
30. Hrovat DA, Borden WT (1994) J Am Chem Soc 116:6327–6331
31. Fang S, Lee M-S, Hrovat DA, Borden WT (1995) J Am Chem Soc 117:6727–6731
32. Bally T, Borden WT (1993) In: Lipkowitz KB, Boyd DB (eds) Reviews in computational
chemistry, vol 13. Wiley-VCH, New York, pp 1–97
33. Lineberger WC, Borden WT (2011) Phys Chem Chem Phys 13:11792–11813
34. Trinquier G, Suaud N, Malrieu J-P (2010) Chem Eur J 16:8762–8772
35. Said M, Maynau D, Malrieu J-P (1984) J Am Chem Soc 106:580
36. Lieb EH (1989) Phys Rev Lett 62:1201–1204
37. Caballol R, Castell O, Illas F, de Moeira IPR, Malrieu J-P (1997) J Phys Chem A 101:7860–
7866
38. Thiele J, Balhorn H (1904) Chem Ber 37:1463–1470
39. Chichibabin AE (1907) Chem Ber 40:1810–1819
40. Montgomery LK, Huffman JC, Jurczak EA, Grendze MP (1986) J Am Chem Soc 108:6004–
6011
41. Muller E, Pfanz H (1941) Chem Ber 74:1051
42. Shishlov NM, Asfandiarov NL (2000) Russ Chem Bull Int Ed 40:1676–1681
43. For a recent theoretical study of the series see, Trinquier G, Malrieu J-P (2015) Chem Eur J
21:814–828
44. Abe M (2013) Chem Rev 113:7011–7088
45. Filatov M, Shaik S (1999) J Phys Chem A 103:8885–8889
46. Rodríguez E, Reguero M, Caballol R (2000) J Phys Chem A 104:6253–6258
47. Pozun ZD, Su X, Jordan KD (2013) J Am Chem Soc 135:13862–13869
48. McConnell HM (1956) J Chem Phys 24:764
49. Bernsohn R (1956) J Chem Phys 24:1066
50. Yamaguchi K, Takahara Y, Fueno T (1986) In: Smith VH (ed) Applied quantum chemistry.
Reidel, Dordrecht, p 155
51. Soda T, Kitagawa Y, Onishi T, Takano T, Shigeta Y, Nagao H, Yoshioka Y, Yamaguchi K
(2000) Chem Phys Lett 319:223–230
52. Malrieu J-P, Ferré N, Guihéry N (2015) Phys Chem Chem Phys 17:14375
53. De Loth P, Cassoux P, Daudey J-P, Malrieu J-P (1981) J Amer Chem Soc 103:4007
54. Calzado CJ, Cabrero J, Malrieu J-P, Caballol R (2002) J Chem Phys 116:2728
55. Coulaud E, Guihéry N, Malrieu J-P, Hagenbaum-Reignier D, Siri D, Ferré N (2012) J Chem
Phys 137:114106
56. Coulaud E, Malrieu J-P, Guihéry N, Ferré N (2013) J Comput Theory Chem 9:3429
57. Borden WT, Davidson ER, Feller D (1982) Tetraedron 38:737–739
58. Borden WT, Davidson ER (1996) Acc Chem Res 29:67–75
59. Suaud N, Ruamps R, Guihéry N, Malrieu J-P (2012) J Chem Theory Comput 8:4127–4137
60. Suaud N, Ruamps R, Malrieu J-P, Guihéry N (2014) J Phys Chem A 118:5876
394
J.-P. Malrieu et al.