Yamanaka S - Search Results

1

Similarities of artificial photosystems by ruthenium oxo complexes and native water splitting systems.

Tanaka K, Isobe H, Yamanaka S, Yamaguchi K. Tanaka K, et al. Among authors: yamanaka s. Proc Natl Acad Sci U S A. 2012 Sep 25;109(39):15600-5. doi: 10.1073/pnas.1120705109. Epub 2012 Jul 3. Proc Natl Acad Sci U S A. 2012. PMID: 22761310 Free PMC article.

2

Theoretical illumination of water-inserted structures of the CaMn4O5 cluster in the S2 and S3 states of oxygen-evolving complex of photosystem II: full geometry optimizations by B3LYP hybrid density functional.

Isobe H, Shoji M, Yamanaka S, Umena Y, Kawakami K, Kamiya N, Shen JR, Yamaguchi K. Isobe H, et al. Among authors: yamanaka s. Dalton Trans. 2012 Nov 28;41(44):13727-40. doi: 10.1039/c2dt31420g. Epub 2012 Oct 4. Dalton Trans. 2012. PMID: 23037319

3

Electronic and spin structures of CaMn₄O_x clusters in the S₀ state of the oxygen evolving complex of photosystem II. Domain-based local pair natural orbital (DLPNO) coupled-cluster (CC) calculations using optimized geometries and natural orbitals (UNO) by hybrid density functional theory (HDFT) calculations.

Miyagawa K , Yamanaka S , Isobe H , Shoji M , Kawakami T , Taniguchi M , Okumura M , Yamaguchi K . Miyagawa K , et al. Among authors: yamanaka s. Phys Chem Chem Phys. 2020 Dec 7;22(46):27191-27205. doi: 10.1039/d0cp04762g. Phys Chem Chem Phys. 2020. PMID: 33226053

4

Generalized approximate spin projection calculations of effective exchange integrals of the CaMn4O5 cluster in the S1 and S3 states of the oxygen evolving complex of photosystem II.

Isobe H, Shoji M, Yamanaka S, Mino H, Umena Y, Kawakami K, Kamiya N, Shen JR, Yamaguchi K. Isobe H, et al. Among authors: yamanaka s. Phys Chem Chem Phys. 2014 Jun 28;16(24):11911-23. doi: 10.1039/c4cp00282b. Phys Chem Chem Phys. 2014. PMID: 24632787

5

Theoretical investigation of the magnetic interactions of Ni9 complexes.

Shoji M, Kitagawa Y, Kawakami T, Yamanaka S, Okumura M, Yamaguchi K. Shoji M, et al. Among authors: yamanaka s. J Phys Chem A. 2008 May 1;112(17):4020-8. doi: 10.1021/jp711525q. Epub 2008 Apr 5. J Phys Chem A. 2008. PMID: 18393476

6

Theoretical and computational investigations of geometrical, electronic and spin structures of the CaMn₄ O_X (X = 5, 6) cluster in the Kok cycle S_i (i = 0-3) of oxygen evolving complex of photosystem II.

Yamaguchi K, Yamanaka S, Isobe H, Shoji M, Miyagawa K, Nakajima T, Kawakami T, Okumura M. Yamaguchi K, et al. Among authors: yamanaka s. Physiol Plant. 2019 May;166(1):44-59. doi: 10.1111/ppl.12960. Epub 2019 Apr 4. Physiol Plant. 2019. PMID: 30847925

7

Linear Response Functions of Densities and Spin Densities for Systematic Modeling of the QM/MM Approach for Mono- and Poly-Nuclear Transition Metal Systems.

Kitakawa CK, Maruyama T, Oonari J, Mitsuta Y, Kawakami T, Okumura M, Yamaguchi K, Yamanaka S. Kitakawa CK, et al. Among authors: yamanaka s. Molecules. 2019 Feb 25;24(4):821. doi: 10.3390/molecules24040821. Molecules. 2019. PMID: 30823580 Free PMC article.

8

Reinvestigation of the reaction of ethylene and singlet oxygen by the approximate spin projection method. Comparison with multireference coupled-cluster calculations.

Saito T, Nishihara S, Kataoka Y, Nakanishi Y, Kitagawa Y, Kawakami T, Yamanaka S, Okumura M, Yamaguchi K. Saito T, et al. Among authors: yamanaka s. J Phys Chem A. 2010 Aug 5;114(30):7967-74. doi: 10.1021/jp102635s. J Phys Chem A. 2010. PMID: 20666543

9

Multireference character of 1,3-dipolar cycloaddition of ozone with ethylene and acrylonitrile.

Saito T, Nishihara S, Kataoka Y, Nakanishi Y, Kitagawa Y, Kawakami T, Yamanaka S, Okumura M, Yamaguchi K. Saito T, et al. Among authors: yamanaka s. J Phys Chem A. 2010 Nov 18;114(45):12116-23. doi: 10.1021/jp108302y. Epub 2010 Oct 27. J Phys Chem A. 2010. PMID: 20979405

10

Theoretical investigation on nearsightedness of finite model and molecular systems based on linear response function analysis.

Mitsuta Y, Yamanaka S, Yamaguchi K, Okumura M, Nakamura H. Mitsuta Y, et al. Among authors: yamanaka s. Molecules. 2014 Aug 29;19(9):13358-73. doi: 10.3390/molecules190913358. Molecules. 2014. PMID: 25178060 Free PMC article.

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