Geometries and properties of adenine-BH3 complex: An investigation with density functional theory (DFT) method

Journal of Molecular Structure: THEOCHEM

Volumn 677, Issue 1-3, 2004, Pages 161-166

  Zhang, Shiguo ^a,b   Yang, Pin ^a   Li, Sidian ^c  

^a SHANXI UNIVERSITY   (China)

^b BINZHOU UNIVERSITY   (China)

^c Xinzhou Techaers' Universty   (China)

Author keywords

Adenine BH3 complex; Density functional theory; Intermolecular interaction

Indexed keywords

ADENINE; AMINO ACID DERIVATIVE; BH3 PROTEIN; NITROGEN; PYRIDINE;

ARTICLE; CHEMICAL BOND; CHEMICAL INTERACTION; COMPLEX FORMATION; DENSITY FUNCTIONAL THEORY; ELECTRON; ENERGY; GEOMETRY; PHYSICAL CHEMISTRY; PREDICTION; PROTEIN BINDING; QUANTUM THEORY;

EID: 2042440443     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.03.012     Document Type: Article

References (22)

1. Liu T., Gu J.D., Tian X.J., Zhu W.L., Luo X.M., Jiang H.L., Ji R.Y., Chen K.X., Silman I., Sussman J. J. Phys. Chem. A. 105:2001;5431
2. Takhashi O., Kohno Y., Saito K. Chem. Phys. Lett. 378:2003;509
3. Reynisson J., Steenken S. J. Mol. Struct. (Theochem). 635:2003;133
4. Dunbar R.C. J. Phys. Chem. A. 104:2000;8067
5. Meng F., Bu Y., Liu C. Acta Chimica Sinica. 60:2002;7
6. Tarakeshwar P., Lee S.J., Lee J.Y., Kim K.S. J. Phys. Chem. B. 103:1999;184
7. Tarakeshwar P., Lee J.Y., Kim K.S. J. Phys. Chem. A. 102:1998;2253
8. Nxumalo L.M., Ford T.A. J. Mol. Struct. (Theochem). 369:1996;115
9. Miller M.C. 3rd, Sood A., Spielvogel B.F., Hall I.H. Anticancer Res. 17:1997;3299
10. Vyakaranam K., Rana G., Spielvogel B.F., Maguire J.A., Hosmane N.S. Nucleosides Nucleotides Nucleic Acids. 21:2002;581
11. Sponer J., Leszczynski J., Hobza P. Biopolymers (Nucleic Acid Sci). 61:2002;3. and reverences there in
12. Rayou V.M., Sordo J.A. J. Chem. Phys. 110:1999;377
13. Rayou V.M., Sordo J.A. J. Chem. Phys. A. 101:1997;7414
14. Rayou V.M., Sordo J.A. J. Chem. Phys. 101:1997;7812
15. Dkhissi A., Adamowicz L., Maes G. Chem. Phys. Lett. 324:2000;127
16. Meng F., Bu Y., Liu C. J. Mol. Struct. (Theochem). 588:2002;1
17. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery, Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, and J.A. Pople, Gaussian 03, Revision B.03, Gaussian, Inc., Pittsburgh PA, 2003.
18. Bader R.F.W. Atoms in Molecules: a Quantum Theory. 1990;Clarendon Press, New York
19. Matta C.F., Hernandez-Trujillo J., Tang T.H., Bader R.F.W. Chem. Eur. J. 9:2003;1940
20. van Duijineveldt F.B., van Duijineveldt-van de Rijdt J.C.M., van Lenthe J.H. Chem. Rev. 94:1994;1873
21. Anane H., Boutalib A., Nebot G.I., Tomas F. Chem. Phys. Lett. 287:1998;575
22. Lias S.G., Bartness J.E., Liebman J.F., Holmess J.L., Levin R.D., Mallard W.G. J. Phys. Chem. 17:1998;17