Elongation method applied to aperiodic systems- Random polypeptides, high spin alignment, polymer in solvent, and DNA

AIP Conference Proceedings

Volumn 963, Issue 1, 2007, Pages 120-137

  Aoki, Y ^a   Gu, F L ^a   Orimoto, Y ^a   Suhai, S ^b   Imamura, A ^a  

^a KYUSHU UNIVERSITY   (Japan)

^b GERMAN CANCER RESEARCH CENTER DKFZ   (Germany)

Author keywords

Ab initio method; Aperiodic polymer; DNA; Elongation method; High spin; Polypeptide

Indexed keywords

EID: 84961978307     PISSN: 0094243X     EISSN: 15517616     Source Type: Conference Proceeding    
DOI: 10.1063/1.2826999     Document Type: Conference Paper

References (32)

1. W. Yang, Phys. Rev. Lett., 66, 1438-1441 (1991).
2. K. Kitaura, T. Sawai, T. Asada, T. Nakano, and M. Uebayasi, Chem. Phys. Lett., 312, 319-324 (1999).
3. H. A. van der Vorst, Iterative Krylov Methods for Large Linear Systems (Cambridge University Press, Cambridge, 2003).
4. W. Li, T. Fang, and S. Li, J. Chem. Phys., 124, 154102 (2006).
5. A. Imamura, Y. Aoki, and K. Maekawa, J. Chem. Phys., 95, 5419-5431 (1991).
6. Y. Aoki and A. Imamura, J. Chem. Phys., 97, 8432-8440 (1992).
7. A. Imamura, Y. Aoki, K. Nishimoto, Y. Kurihara, and A. Nagao, Int. J. Quantum Chem., 52, 309-320 (1994).
8. Y. Aoki, S. Suhai, and A. Imamura, Int. J. Quantum Chem., 52, 267-280 (1994).
9. M. Mitani, Y. Aoki, and A. Imamura, J. Chem. Phys., 100, 2346-2358 (1994).
10. Y. Aoki, S. Suhai, and A. Imamura, J. Chem. Phys., 101, 10808-10823 (1994).
11. M. Mitani, Y. Aoki, and A. Imamura, Int. J. Quantum Chem., 54, 167-196 (1995).
12. Y. Aoki, and A. Imamura, Int. J. Quantum Chem., 64, 301-323 (1997).
13. Y. Kurihara, Y. Aoki, and A. Imamura, J. Chem. Phys., 107, 3569-3575 (1997).
14. A. Imamura and Y. Aoki, Advances in Colloid and Interface Science, 71-72, 147-164 (1997).
15. Y. kurihara, Y. Aoki, and A. Imamura, J. Chem. Phys., 108, 10303-10308 (1998).
16. G. Raether, Y. Aoki, and A. Imamura, Int. J. Quantum Chem., 74, 35-47 (1999).
17. J. Ladik, A. Imamura, Y. Aoki, M. B. R. Y. Ruiz, and P. Otto, J. Mol. Struct. (Theochem), 491, 49-56 (1999).
18. F. L. Gu, Y. Aoki, A. Imamura, D. M. Bishop, and B. Kirtman, Mol. Phys., 101, 1487-1494(2003).
19. S. Ohnishi, F. L. Gu, K. Naka, A. Imamura, B. Kirtman, and Y. Aoki, J. Phys. Chem. A, 108, 8478-8484 (2004).
20. F. L. Gu, Y. Aoki, J. Korchowiec, A. Imamura, and B. Kirtman, J. Chem. Phys., 121, 10385-10391(2004).
21. F. L. Gu, A. Imamura, B. Kirtman, and Y. Aoki, Int. J. Quantum Chem., 102, 785-794 (2005).
22. J. Korchowiec, F. L. Gu, and Y. Aoki, Int. J. Quantum Chem., 105, 875-882 (2005).
23. J. Korchowiec, F. L. Gu, and Y. Aoki, Journal Chemical Modeling in Science and Engineering, 6, 189-200 (2006).
24. F. L. Gu, M. Guillaume, E. Botek, B. Champagne, F. Castet, L. Ducasse, and Y. Aoki, Journal Chemical Modeling in Science and Engineering, 6, 171-188 (2006).
25. M. Makowski, J. Korchowiecc, F. L. Gu, and Y. Aoki, J. Comp. Chem., 27, 1603-1619 (2006).
26. R. Zhang, W. Q. Tian, F. L. Gu, and Y. Aoki, J. Phys. Chem.C, 111, 6350-6356 (2007).
27. Feng Long Gu, Akira Imamura, and Yuriko Aoki, Elongation Method for Polymers and its Application to Nonlinear Optics, in Atoms, Molecules and Clusters in Electric Fields: Theoretical Approaches to the Calculation of Electric Polarizabilities, edited by G. Maroulis, Imperial College Press, Imperial College Press, Vol. 1, Page 97-177 (2006).
28. Y.Orimoto, F.L.Gu, A.Imamura, and Y.Aoki, J. Chem. Phys., 126, 215104 (2007).
29. S. Ohnishi, Y. Orimoto, F. L. Gu, and Y. Aoki, J. Chem. Phys., in press (2007).
30. J. P. Weisenseel, G. R. Reddy, L. J. Marnett, and M. P. Stone, Chem. Res. Toxicol., 15, 127 (2002).
31. S. Miertiis, E. Scrocco and J. Tomasi. Chem. Phys., 55, 117-129 (1981).
32. S. Miertus and J. Tomasi. Chem. Phys., 65, 239-245 (1982).