Collect. Czech. Chem. Commun. 2011, 76, 537-552
https://doi.org/10.1135/cccc2011023
Published online 2011-04-26 23:49:41

Absorption spectra of nucleic acid bases studied by the symmetry-adapted-cluster configuration-interaction (SAC-CI) method

Tomoo Miyaharaa,b and Hiroshi Nakatsujia,b,*

a Japan Science and Technology Agency, CREST, Japan
b Quantum Chemistry Research Institute (QCRI), Kyodai Katsura Venture Plaza, North building 106, 1-36 Goryo-Oohara, Nishikyo-ku, Kyoto, 615-8245, Japan

References

1. Voet D., Voet J. G.: Biochemistry, 2nd ed. John Wiley & Sons, Inc., New York 1995.
2. Voet D., Gratzer W. B., Cox R. A., Doty P.: Biopolymers 1963, 1, 193. <https://doi.org/10.1002/bip.360010302>
3. Barbatti M., Aquino A. J. A., Lischka H.: Phys. Chem. Chem. Phys. 2010, 12, 4959. <https://doi.org/10.1039/b924956g>
4. Fleig. T., Knecht S., Hättig C.: J. Phys. Chem. A 2007, 111, 5482. <https://doi.org/10.1021/jp0669409>
5. Shukla M. K., Leszczynski J.: J. Comput. Chem. 2004, 25, 768. <https://doi.org/10.1002/jcc.20007>
6. Varsano D., Felice R. D., Marques M. A. L., Rubio A.: J. Phys. Chem. B 2006, 110, 7129. <https://doi.org/10.1021/jp056120g>
7. Schreiber M., Silva M. R., Jr., Sauer S. P. A., Thiel W.: J. Chem. Phys. 2008, 128, 134110. <https://doi.org/10.1063/1.2889385>
8. Fülscher M. P., Serrano-Andrés L., Roos B. O.: J. Am. Chem. Soc. 1997, 119, 6168. <https://doi.org/10.1021/ja964426i>
9. Zgierski M. Z., Patchkovskii S., Lim E. C.: Can. J. Chem. 2007, 85, 124. <https://doi.org/10.1139/v07-006>
10. Tajti A., Fogarasi G., Szalay P. G.: Chem.Phys.Chem. 2009, 10, 1603.
11. Zgierski M. Z., Patchkovskii S., Fujiwara T., Lim E. C.: J. Phys. Chem. A 2005, 109, 9384. <https://doi.org/10.1021/jp054158n>
12. Kozak C. R., Kistler K. A., Lu Z., Matsika S.: J. Phys. Chem. B 2010, 114, 1674. <https://doi.org/10.1021/jp9072697>
13. Nakatsuji H., Hirao K.: J. Chem. Phys. 1978, 68, 2053. <https://doi.org/10.1063/1.436028>
14. Nakatsuji H.: Chem. Phys. Lett. 1978, 59, 362. <https://doi.org/10.1016/0009-2614(78)89113-1>
15. Nakatsuji H.: Chem. Phys. Lett. 1979, 67, 329. <https://doi.org/10.1016/0009-2614(79)85172-6>
16. Frisch M. J., Trucks G. W., Schlegel H. B., Scuseria G. E., Robb M. A., Cheeseman J. R., Scalmani G., Barone V., Mennucci B., Petersson G. A., Nakatsuji H., Caricato M., Li X., Hratchian H. P., Izmaylov A. F., Bloino J., Zheng G., Sonnenberg J. L., Hada M., Ehara M., Toyota K., Fukuda R., Hasegawa J., Ishida M., Nakajima T., Honda Y., Kitao O., Nakai H., Vreven T., Montgomery J. A., Jr., Peralta J. E., Ogliaro F., Bearpark M., Heyd J. J., Brothers E., Kudin K. N., Staroverov V. N., Kobayashi R., Normand J., Raghavachari K., Rendell A., Burant J. C., Iyengar S. S., Tomasi J., Cossi M., Rega N., Millam N. J., Klene M., Knox J. E., Cross J. B., Bakken V., Adamo C., Jaramillo J., Gomperts R., Stratmann R. E., Yazyev O., Austin A. J., Cammi R., Pomelli C., Ochterski J. W., Martin R. L., Morokuma K., Zakrzewski V. G., Voth G. A., Salvador P., Dannenberg J. J., Dapprich S., Daniels A. D., Farkas Ö., Foresman J. B., Ortiz J. V., Cioslowski J., Fox D. J.: Gaussian 09, revision B.01. Gaussian, Inc., Wallingford (CT) 2009.
17. Fukuda R., Nakatsuji H.: J. Chem. Phys. 2008, 128, 094105. <https://doi.org/10.1063/1.2832867>
18. Miyahara T., Hasegawa J., Nakatsuji H.: Bull. Chem. Soc. Jpn. 2009, 82, 1215. <https://doi.org/10.1246/bcsj.82.1215>
19. Clark L. B., Peschel G. G., Tinoco I., Jr.: J. Phys. Chem. 1965, 69, 3615. <https://doi.org/10.1021/j100894a063>
20. Abouaf R., Pommier J., Dunet H.: Chem. Phys. Lett. 2003, 381, 486. <https://doi.org/10.1016/j.cplett.2003.09.121>
21. Hohenberg P., Kohn W.: Phys. Rev. B 1964, 136, 864.
22. Kohn W., Sham L. J.: Phys. Rev. A 1965, 140, 1133.
23. Salahub D. R., Zerner M. C. (Eds): The Challenge of d and f Electrons. ACS, Washington, D.C. 1989.
24. Parr R. G., Yang W.: Density-Functional Theory of Atoms and Molecules. Oxford University Press, Oxford 1989.
25. Becke A. D.: J. Chem. Phys. 1993, 98, 5648. <https://doi.org/10.1063/1.464913>
26. Lee C., Yang W., Parr R. G.: Phys. Rev. B 1988, 37, 785. <https://doi.org/10.1103/PhysRevB.37.785>
27. Hariharan P. C., Pople J. A.: Theor. Chim. Acta 1973, 28, 213. <https://doi.org/10.1007/BF00533485>
28. Hehre W. J., Ditchfield R., Pople J. A.: J. Chem. Phys. 1972, 56, 2257. <https://doi.org/10.1063/1.1677527>
29. Dunning T. H., Jr.: J. Chem. Phys. 1989, 90, 1007. <https://doi.org/10.1063/1.456153>
30. Nakatsuji H.: Chem. Phys. 1983, 75, 425. <https://doi.org/10.1016/0301-0104(83)85209-4>