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Vreven T, Kudin KN, Burant JC, Millam JM, Iyengar SS, Tomasi J, Barone V, Mennucci B,
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24. http://cccbdb.nist.gov/vibscalejust.asp
25. Alagona G, Ghio C (2006) J Phys Chem A 110:647
26. Boys SF, Bernardi F (1970) Molec Phys 19:553
27. https://www.wiki.ed.ac.uk/display/EaStCHEMresearchwiki/How+to+analyse+the+orbitals
+from+a+Gaussian+calculation
28. Mammino L, Tshiwawa T (2013) In: 44th IUPAC congress, Istanbul, 11–16 August 2013
114
L. Mammino et al.
11. Lee C, Yang W, Parr RG (1998) Phys Rev B 37(2):785–789
12. Becke AD (1993) 98(2):1372–1377
13. Becke AD (1993) J Chem Phys 98(7):5648–5652
14. Tomasi J, Persico M (1994) Chem Rev 94:2027–2094
15. Tomasi J, Mennucci B, Cammi R (2005) Chem Rev 105:2999–3094
16. 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, AlLaham 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
17. Mennucci B, Tomasi J (1997) J Chem Phys 106:5151
18. Mennucci B, Cancès E, Tomasi J (1997) J Phys Chem B 101:10506
19. Cancès E, Mennucci B, Tomasi J (1997) J Chem Phys 107:3032
20. Barone V, Cossi M, Tomasi J (1998) J Comput Chem 19:404
21. Pascual-Ahuir JL, Silla E (1990) J Comput Chem 11:1047
22. Silla E, Villar F, Nilsson O, Pascual-Ahuir JL, Tapia O (1990) J Mol Graph 8:168
23. Silla E, Tunon I, Pascual-Ahuir JL (1991) Comput Chem 12:1077
24. http://cccbdb.nist.gov/vibscalejust.asp
25. Alagona G, Ghio C (2006) J Phys Chem A 110:647
26. Boys SF, Bernardi F (1970) Molec Phys 19:553
27. https://www.wiki.ed.ac.uk/display/EaStCHEMresearchwiki/How+to+analyse+the+orbitals
+from+a+Gaussian+calculation
28. Mammino L, Tshiwawa T (2013) In: 44th IUPAC congress, Istanbul, 11–16 August 2013
114
L. Mammino et al.