Oxidation effect on double H-bonded imidazole-adenine-imidazole trimer

Structural Chemistry

Volumn 21, Issue 4, 2010, Pages 873-878

  Cui, Pei Ying ^a   Meng, Lian Qin ^b   Liu, Bing Ping ^a  

^a QUFU NORMAL UNIVERSITY   (China)

^b Guang Rao No 1 Middle School of Shan Dong   (China)

Author keywords

Density functional theory; Frontier molecular orbital; Geometry optimization; Ionization potential; Oxidation effect

Indexed keywords

EID: 77954423169     PISSN: 10400400     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11224-010-9622-x     Document Type: Article

References (39)

1. Nowak MJ, Rostkowska H, Lapinski L, Kwiatkowski JS, Leszczynski J (1994) J Phys Chem 98: 2813.
2. Holmen A (1997) Int J Phys Chem A 101: 4361.
3. Russo N, Toscano M, Grand A, Jolibois F (1998) J Comput Chem 19: 989.
4. Liu BP, Ding YJ, Yuan XA (2008) J Mol Struct Theochem 848: 47.
5. Conti I, Garavelli M, Orlandi G (2009) J Am Chem Soc 131: 16108.
6. Vogt N, Dorofeeva OV, Sipachev VA, Rykov AN (2009) J Phys Chem A 113: 13816.
7. Dolgounitcheva O, Zakrzewski VG, Ortiz JV (2009) J Phys Chem A 113: 14630.
8. Conti I, Donato ED, Negri F, Orlandi G (2009) J Phys Chem A 113: 15265.
9. Improta R, Santoro F, Barone V, Lami A (2009) J Phys Chem A 113: 15346.
10. Daycock JT, Jones GP, Evans JRN, Thomas JM (1968) Nature 218: 672.
11. Kawada A, McGhie AR, Labes MM (1970) J Chem Phys 52: 3121.
12. Colombo L, Bleckmann P, Schrader B, Schneider R, Plesser Th (1974) J Chem Phys 61: 3270.
13. Loeffen PW, Pettifer RF, Fillaux F, Kearley GJ (1995) J Chem Phys 103: 8444.
14. Hickman BS, Mascal M, Titman JJ, Wood IG (1999) J Am Chem Soc 121: 11486.
15. Su CC, Chang HC, Jiang JC, Wei PY, Lu LC, Lin SH (2003) J Chem Phys 119: 10753.
16. Basch H, Krauss M, Stevens WJ (1985) J Am Chem Soc 107: 7267.
17. Nagy PI, Durant GJ, Smith DA (1993) J Am Chem Soc 115: 2912.
18. Scheiner S, Yi MY (1996) J Phys Chem 100: 9235.
19. Münch W, Kreuer KD, Silvestri W, Maier J, Seifert G (2001) Solid State Ionics 145: 437.
20. Tatara W, Wójcik MJ, Lindgren J, Probst M (2003) J Phys Chem A 107: 7827.
21. Yan S, Bu Y (2004) J Phys Chem B 108: 13874.
22. Yan S, Bu Y, Cao Z, Li P (2004) J Phys Chem A 108: 7038.
23. Yan S, Bu Y, Li P (2005) J Chem Phys 122: 054311.
24. Churchill CDM, Wetmore SD (2009) J Phys Chem B 113: 16046.
25. Becke AD (1993) J Chem Phys 98: 5648.
26. Lee C, Yang W, Parr RG (1988) Phys Rev B 37: 785.
27. Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Zakrzewski VG, Montgomery JA, Stratmann RE Jr, Burant JC, Dapprich S, Millam JM, Daniels AD, Kudin KN, Strain MC, Farkas O, Tomasi J, Barone V, Cossi M, Cammi R, Mennucci B, Pomelli C, Adamo C, Clifford S, Ochterski J, Petersson GA, Ayala PY, Cui Q, Morokuma K, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Cioslowski J, Ortiz JV, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Gomperts R, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Gonzalez C, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Andres JL, Gonzalez C, Head-Gordon M, Replogle ES, Pople JA (1998) Gaussian, Inc., Pittsburgh, PA.
28. Schumm S, Prévost M, García-Fresnadillo D, Lentzen O, Moucheron C, Kirsch-De Mesmaeker A (2002) J Phys Chem B 106: 2763.
29. Pogozelski WK, Tullius TD (1998) Chem Rev 98: 1089.
30. Burrows JC, Muller JG (1998) Chem Rev 98: 1109.
31. Armitage B (1998) Chem Rev 98: 1171.
32. Russo N, Toscano M, Grand A (2000) J Comput Chem 21: 1243.
33. Saito I, Nakamura T, Nakatami K (2000) J Am Chem Soc 122: 3001.
34. Wieczorek R, Dannenberg JJ (2003) J Am Chem Soc 125: 14065.
35. Camara-Campos A, Musumeci D, Hunter CA, Turega S (2009) J Am Chem Soc 131: 18518.
36. Sun L, Bu Y (2005) J Phys Chem B 109: 593.
37. DeChancie J, Houk KN (2007) J Am Chem Soc 129: 5419.
38. Li Q, An X, Gong B, Cheng J (2007) J Phys Chem A 111: 10166.
39. Li Q, An X, Luan F, Li W, Gong B, Cheng J, Sun J (2008) J Chem Phys 128: 154102.