8. Karle JM, Bhattacharjee AK (1999) Bioorg Med Chem 7:1769–1774
9. Batagin-Neto A, Lavarda FC (2014) Med Chem Res 23:580–586
10. Naranjo-Montoya OA, Martins LM, da Silva-Filho LC, Batagin-Neto A, Lavarda FC (2015) J
Braz Chem Soc 26:832–836
11. Purcell WP, Sundaram K (1969) J Med Chem 12:18–21. http://dx.doi.org/10.5935/01035053.20140263
12. Mammino L, Bilonda MK (2017) In: Tadjern A, Pavlov R, Maruani J, Brändas EJ,
Delgado-Barrio G (eds) Quantum systems in physics, chemistry, and biology—advances in
concepts and applications. Book series Progress in theoretical chemistry and physics.
Springer, pp 303–316
13. Boyd MR (1994) J Med Chem 37:1740–1745
14. Becke AD (1993) J Chem Phys 98:5648–5662
15. Lee C, Yang W, Parr RG (1988) Phys Rev B 37:785–789
16. Mammino L, Bilonda MK (2016) Theor Chem Acc 135:101. https://doi.org/10.1007/s00214016-1843-7
17. Mammino L, Kabanda MM (2009) J Mol Struct (Theochem) 901:210–219
18. Mammino L, Kabanda MM (2012) Int J Quantum Chem 112:2650–2658
19. Harvey JN (2004) In: Nkaltsoyanis N, McGrady JE (eds) Principles and applications of
density functional theory in inorganic chemistry II. Springer, p 170
20. Irikura K, Johnson III RD, Kacker RN (2005) J Phys Chem A 109:8430–8437
21. Barone V, Cossi M (1997) J Chem Phys 107:3210–3221
22. Tomasi J, Mennucci B, Cammi R (2005) Chem Rev 105:2999–3093
23. Barone V, Cossi M, Tomasi J (1998) J Comput Chem 19:404–417
24. Cossi M, Scalmani G, Rega N, Barone V (2002) J Chem Phys 117:43–54
25. Cancès E, Mennucci B, Tomasi J (1997) J Chem Phys 107:3032–3041
26. Tomasi J, Mennucci B, Cancès E (1999) (Theochem) 464:211–226
27. Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Montgomery JA, Vreven T, Kudin KN, Burant JC, Millam JM, Iyengar SS, Tomasi J, Barone V,
Mennucci B, Cossi M, Scalmani G, Rega N, Petersson GA, Nakatsuji H, Hada M, Ehara M,
Toyota K, Fukuda R, Hasegawa J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H,
Klene M, Li X, Knox JE, Hratchian HP, Cross JB, Adamo C, Jaramillo J, Gomperts R,
Stratmann RE, Yazyev O, Austin AJ, Cammi R, Pomelli C, Ochterski JW, Ayala PY,
Morokuma K, Voth GA, Salvador P, Dannenberg JJ, Zakrzewski VG, Dapprich S,
Daniels AD, Strain MC, Farkas O, Malick DK, Rabuck AD, Raghavachari K, Foresman JB,
Ortiz JV, Cui Q, Baboul AG, Clifford S, Cioslowski J, Stefanov BB, Liu G, Liashenko A,
Piskorz P, Komaromi I, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY,
Nanayakkara A, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Gonzalez C,
Pople JA (2003) Gaussian 03. Gaussian Inc, Pittsburgh
28. Pascual-Ahuir JL, Silla E (1990) J Comput Chem 11:1047–1047
29. Silla E, Villar F, Nilsson O, Pascual-Ahuir JL, Tapia O (1990) J Mol Graph 8:168–172
30. Silla E, Tunon I, Pascual-Ahuir JL (1991) J Comput Chem 12:1077–1088
31. Reichardt C (2003) Solvents effects in organic chemistry, 3rd edn. Wiley-VCH Verlag
GmbH, Boschstr. 12, D-69469 Weinheim, Germany, p 82
32. Mammino L, Kabanda MM (2007) J Mol Struct (Theochem) 805:39–52
33. Buemi G, Zuccarello F (2002) J Mol Struct (Theochem) 581:71–85
34. Simperler A, Lampert H, Mikenda W (1998) J Mol Struct 448:191–199
35. Gilli G, Bellucci F, Ferretti V, Bertolasi V (1989) J Am Chem Soc 111:1023–1028
36. Bertolasi V, Gilli P, Ferretti V, Gilli G (1991) J Am Chem Soc 113:4017–4925
37. Gilli P, Bertolasi V, Ferretti V, Gilli G (1994) J Am Chem Soc 116:909–915
38. Nolasco MM, Ribeiro-Claro PJA (2005) Chem Phys Chem 6:496–502
39. Buemi G (2002) Chem Phys 282:181–195
40. Posokhov Y, Gorski A, Spanget-Larsen J, Duus F, Hansen PE, Waluk (2004) J Chem Phys
Chem 5:495–502
41. Sobczyk L, Grabowski SJ, Krygowski TM (2005) Chem Rev 105:3513–3560
Computational Study of Jozimine A 2 , a Naphthylisoquinoline …
327
9. Batagin-Neto A, Lavarda FC (2014) Med Chem Res 23:580–586
10. Naranjo-Montoya OA, Martins LM, da Silva-Filho LC, Batagin-Neto A, Lavarda FC (2015) J
Braz Chem Soc 26:832–836
11. Purcell WP, Sundaram K (1969) J Med Chem 12:18–21. http://dx.doi.org/10.5935/01035053.20140263
12. Mammino L, Bilonda MK (2017) In: Tadjern A, Pavlov R, Maruani J, Brändas EJ,
Delgado-Barrio G (eds) Quantum systems in physics, chemistry, and biology—advances in
concepts and applications. Book series Progress in theoretical chemistry and physics.
Springer, pp 303–316
13. Boyd MR (1994) J Med Chem 37:1740–1745
14. Becke AD (1993) J Chem Phys 98:5648–5662
15. Lee C, Yang W, Parr RG (1988) Phys Rev B 37:785–789
16. Mammino L, Bilonda MK (2016) Theor Chem Acc 135:101. https://doi.org/10.1007/s00214016-1843-7
17. Mammino L, Kabanda MM (2009) J Mol Struct (Theochem) 901:210–219
18. Mammino L, Kabanda MM (2012) Int J Quantum Chem 112:2650–2658
19. Harvey JN (2004) In: Nkaltsoyanis N, McGrady JE (eds) Principles and applications of
density functional theory in inorganic chemistry II. Springer, p 170
20. Irikura K, Johnson III RD, Kacker RN (2005) J Phys Chem A 109:8430–8437
21. Barone V, Cossi M (1997) J Chem Phys 107:3210–3221
22. Tomasi J, Mennucci B, Cammi R (2005) Chem Rev 105:2999–3093
23. Barone V, Cossi M, Tomasi J (1998) J Comput Chem 19:404–417
24. Cossi M, Scalmani G, Rega N, Barone V (2002) J Chem Phys 117:43–54
25. Cancès E, Mennucci B, Tomasi J (1997) J Chem Phys 107:3032–3041
26. Tomasi J, Mennucci B, Cancès E (1999) (Theochem) 464:211–226
27. Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Montgomery JA, Vreven T, Kudin KN, Burant JC, Millam JM, Iyengar SS, Tomasi J, Barone V,
Mennucci B, Cossi M, Scalmani G, Rega N, Petersson GA, Nakatsuji H, Hada M, Ehara M,
Toyota K, Fukuda R, Hasegawa J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H,
Klene M, Li X, Knox JE, Hratchian HP, Cross JB, Adamo C, Jaramillo J, Gomperts R,
Stratmann RE, Yazyev O, Austin AJ, Cammi R, Pomelli C, Ochterski JW, Ayala PY,
Morokuma K, Voth GA, Salvador P, Dannenberg JJ, Zakrzewski VG, Dapprich S,
Daniels AD, Strain MC, Farkas O, Malick DK, Rabuck AD, Raghavachari K, Foresman JB,
Ortiz JV, Cui Q, Baboul AG, Clifford S, Cioslowski J, Stefanov BB, Liu G, Liashenko A,
Piskorz P, Komaromi I, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY,
Nanayakkara A, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Gonzalez C,
Pople JA (2003) Gaussian 03. Gaussian Inc, Pittsburgh
28. Pascual-Ahuir JL, Silla E (1990) J Comput Chem 11:1047–1047
29. Silla E, Villar F, Nilsson O, Pascual-Ahuir JL, Tapia O (1990) J Mol Graph 8:168–172
30. Silla E, Tunon I, Pascual-Ahuir JL (1991) J Comput Chem 12:1077–1088
31. Reichardt C (2003) Solvents effects in organic chemistry, 3rd edn. Wiley-VCH Verlag
GmbH, Boschstr. 12, D-69469 Weinheim, Germany, p 82
32. Mammino L, Kabanda MM (2007) J Mol Struct (Theochem) 805:39–52
33. Buemi G, Zuccarello F (2002) J Mol Struct (Theochem) 581:71–85
34. Simperler A, Lampert H, Mikenda W (1998) J Mol Struct 448:191–199
35. Gilli G, Bellucci F, Ferretti V, Bertolasi V (1989) J Am Chem Soc 111:1023–1028
36. Bertolasi V, Gilli P, Ferretti V, Gilli G (1991) J Am Chem Soc 113:4017–4925
37. Gilli P, Bertolasi V, Ferretti V, Gilli G (1994) J Am Chem Soc 116:909–915
38. Nolasco MM, Ribeiro-Claro PJA (2005) Chem Phys Chem 6:496–502
39. Buemi G (2002) Chem Phys 282:181–195
40. Posokhov Y, Gorski A, Spanget-Larsen J, Duus F, Hansen PE, Waluk (2004) J Chem Phys
Chem 5:495–502
41. Sobczyk L, Grabowski SJ, Krygowski TM (2005) Chem Rev 105:3513–3560
Computational Study of Jozimine A 2 , a Naphthylisoquinoline …
327