Molecular electrostatic potentials and Mulliken charge populations of DNA mini-sequences

Chemical Physics

Volumn 227, Issue 3, 1998, Pages 317-329

  Santamaria, R ^a   Cocho, G ^a   Corona, L ^a   Gonzalez E ^a  

^a UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

Author keywords

31.15.Ew; 87.15.By; 87.15.Kg; Density functional theory; Molecular electrostatic potentials; Mulliken populations; Nucleic acids; Reactivity

Indexed keywords

EID: 0032351452     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0301-0104(97)00320-0     Document Type: Article

References (25)

1. P. Politzer, D.G. Truhlar (Eds.), Chemical Applications of Atomic and Molecular Electrostatic Potentials, Plenum, New York, 1981.
2. J.S. Murray, K. Sen (Eds.), Molecular Electrostatic Potentials: Concepts and Applications, Elsevier, New York, 1996.
3. Bonaccorsi R., Pullman A., Scrocco E., Tomasi J. Theor. Chim. Acta. 24:1972;51.
4. Wiener J.J.M., Grice M.E., Murray J.S., Politzer P. J. Chem. Phys. 104:1996;5109.
5. Mishra P.C., Tewari R.D. Int. J. Quantum Chem. 32:1987;181.
6. K. Morokuma, K. Kitauro, in: P. Politzer, D.G. Truhlar (Eds.), Chemical Applications of Atomic and Molecular Electrostatic Potentials, Plenum, New York, 1981, pp. 215-242.
7. Alkorta I., Perez J.J. Int. J. Quantum Chem. 57:1996;123.
8. Mulliken R.S. J. Chem. Phys. 23:1955;1833.
9. Mohan C.G., Kumar A., Mishra P.C. Int. J. Quantum Chem. 60:1996;699.
10. Santamaria R., Vázquez A. J. Comput. Chem. 15:1994;981.
11. R. Santamaria, E. Charro, A. Zacarias, M. Castro (1997, submitted for publication).
12. Santamaria R., Quiróz-Gutiérrez A., Juárez C. J. Mol. Struct. (Theochem). 357:1995;161.
13. Dickerson R.E. Sci. Am. 249:1983;86.
14. Calladine C.R. J. Mol. Biol. 161:1982;343.
15. Bakalarski G., Grochowski P., Kwiatkowski J.S., Lesyng B., Leszczynski J. Chem. Phys. 204:1996;301.
16. R.G. Parr, W. Yang, Density Functional Theory of Atoms and Molecules, International Series of Monographs on Chemistry, 16, Oxford University Press, Oxford, 1989.
17. J.K. Labanowski, J.W. Andzelm (Eds.), Density Functional Methods in Chemistry, Springer, New York, 1991.
18. J.M. Seminario, P. Politzer (Eds.), Modern Density Functional Theory: A Tool for Chemistry, Theoretical and Computational Chemistry Series, vol. 2, Elsevier, Amsterdam, 1995.
19. Voet D., Rich A. Prog. Nucleic Acid Res. Mol. Biol. 10:1970;196. and references therein.
20. Shinoda T., Shima N., Tsukada M. J. Theor. Biol. 151:1991;433.
21. Shinoda T., Shima N., Tsukada M. Int. J. Quantum Chem. 47:1993;59.
22. Shinoda T., Shima N., Tsukada M. Int. J. Quantum Chem. 49:1994;849.
23. Weiner P.K., Langridge R., Blaney J.M., Schaefer R., Kollman P.A. Proc. Natl. Acad. Sci. USA. 79:1982;3754.
24. A. Klug, in: D.A. Chambers (Ed.), DNA: The Double Helix, vol. 758, Ann. N.Y. Acad. Sci., New York, 1995.
25. R.M. Stroud, C.R. Cantor, T.D. Pollard (Eds.), Annual Review of Biophysics and Biomolecular Structure, vol. 23, Annual Reviews Inc., Palo Alto, CA, 1994.