Shigeta Y - Search Results

1

Enhancement of second hyperpolarizabilities in open-shell singlet slipped-stack dimers composed of square planar nickel complexes involving o-semiquinonato type ligands.

Fukui H, Shigeta Y, Nakano M, Kubo T, Kamada K, Ohta K, Champagne B, Botek E. Fukui H, et al. Among authors: shigeta y. J Phys Chem A. 2011 Feb 17;115(6):1117-24. doi: 10.1021/jp1073895. Epub 2011 Jan 19. J Phys Chem A. 2011. PMID: 21247185

2

Theoretical study of the mechanism of hydrogenation of side-on coordinated dinitrogen activated by Zr binuclear complexes ([(eta5-C5Me4H)2Zr]2(mu2,eta2,eta2-N2)).

Miyachi H, Shigeta Y, Hirao K. Miyachi H, et al. Among authors: shigeta y. J Phys Chem A. 2005 Oct 6;109(39):8800-8. doi: 10.1021/jp053308r. J Phys Chem A. 2005. PMID: 16834283

3

Multiple proton-transfer reactions in DNA base pairs by coordination of pt complex.

Matsui T, Shigeta Y, Hirao K. Matsui T, et al. Among authors: shigeta y. J Phys Chem B. 2007 Feb 8;111(5):1176-81. doi: 10.1021/jp065727+. J Phys Chem B. 2007. PMID: 17266272

4

Structural origin of copper ion containing artificial DNA: a density functional study.

Matsui T, Miyachi H, Sato T, Shigeta Y, Hirao K. Matsui T, et al. Among authors: shigeta y. J Phys Chem B. 2008 Dec 25;112(51):16960-5. doi: 10.1021/jp8080707. J Phys Chem B. 2008. PMID: 19367866

5

Theoretical studies on sulfur and metal cation (Cu(II), Ni(II), Pd(II), and Pt(II))-containing artificial DNA.

Matsui T, Miyachi H, Nakanishi Y, Shigeta Y, Sato T, Kitagawa Y, Okumura M, Hirao K. Matsui T, et al. Among authors: shigeta y. J Phys Chem B. 2009 Sep 24;113(38):12790-5. doi: 10.1021/jp9045319. J Phys Chem B. 2009. PMID: 19708672

6

Open-shell characters and second hyperpolarizabilities of one-dimensional graphene nanoflakes composed of trigonal graphene units.

Yoneda K, Nakano M, Fukui H, Minami T, Shigeta Y, Kubo T, Botek E, Champagne B. Yoneda K, et al. Among authors: shigeta y. Chemphyschem. 2011 Jun 20;12(9):1697-707. doi: 10.1002/cphc.201001089. Epub 2011 May 17. Chemphyschem. 2011. PMID: 21591047

7

Theoretical study on reaction scheme of silver(I) containing 5-substituted uracils bridge formation.

Matsui T, Miyachi H, Baba T, Shigeta Y. Matsui T, et al. Among authors: shigeta y. J Phys Chem A. 2011 Aug 4;115(30):8504-10. doi: 10.1021/jp200871f. Epub 2011 Jul 8. J Phys Chem A. 2011. PMID: 21688824

8

Third-order nonlinear optical properties of open-shell supermolecular systems composed of acetylene linked phenalenyl radicals.

Nakano M, Kishi R, Yoneda K, Inoue Y, Inui T, Shigeta Y, Kubo T, Champagne B. Nakano M, et al. Among authors: shigeta y. J Phys Chem A. 2011 Aug 11;115(31):8767-77. doi: 10.1021/jp205259p. Epub 2011 Jul 21. J Phys Chem A. 2011. PMID: 21736369

9

Halide ion complexes of decaborane (B10H14) and their derivatives: noncovalent charge transfer effect on second-order nonlinear optical properties.

Muhammad S, Minami T, Fukui H, Yoneda K, Kishi R, Shigeta Y, Nakano M. Muhammad S, et al. Among authors: shigeta y. J Phys Chem A. 2012 Feb 9;116(5):1417-24. doi: 10.1021/jp209385b. Epub 2012 Jan 25. J Phys Chem A. 2012. PMID: 22208875

10

Full configuration interaction calculations of the second hyperpolarizabilities of the H4 model compound: summation-over-states analysis and interplay with diradical characters.

Nakano M, Minami T, Fukui H, Kishi R, Shigeta Y, Champagne B. Nakano M, et al. Among authors: shigeta y. J Chem Phys. 2012 Jan 14;136(2):024315. doi: 10.1063/1.3675684. J Chem Phys. 2012. PMID: 22260587

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