Shigeta Y - Search Results

1

Manipulation of photosynthetic energy transfer by vibrational strong coupling.

Dong JY, Kitahama Y, Fujita T, Adachi M, Shigeta Y, Ishizaki A, Tanaka S, Xiao TH, Goda K. Dong JY, et al. Among authors: shigeta y. J Chem Phys. 2024 Jan 28;160(4):045101. doi: 10.1063/5.0183383. J Chem Phys. 2024. PMID: 38284659

2

Neutron crystallography of copper amine oxidase reveals keto/enolate interconversion of the quinone cofactor and unusual proton sharing.

Murakawa T, Kurihara K, Shoji M, Shibazaki C, Sunami T, Tamada T, Yano N, Yamada T, Kusaka K, Suzuki M, Shigeta Y, Kuroki R, Hayashi H, Yano T, Tanizawa K, Adachi M, Okajima T. Murakawa T, et al. Among authors: shigeta y. Proc Natl Acad Sci U S A. 2020 May 19;117(20):10818-10824. doi: 10.1073/pnas.1922538117. Epub 2020 May 5. Proc Natl Acad Sci U S A. 2020. PMID: 32371483 Free PMC article.

3

Deciphering the Potential of Multidimensional Carbon Materials for Surface-Enhanced Raman Spectroscopy through Density Functional Theory.

Tang X, Kishimoto N, Kitahama Y, You TT, Adachi M, Shigeta Y, Tanaka S, Xiao TH, Goda K. Tang X, et al. Among authors: shigeta y. J Phys Chem Lett. 2023 Nov 16;14(45):10208-10218. doi: 10.1021/acs.jpclett.3c02962. Epub 2023 Nov 6. J Phys Chem Lett. 2023. PMID: 37930960

4

Distribution function in quantal cumulant dynamics.

Shigeta Y. Shigeta Y. J Chem Phys. 2008 Apr 28;128(16):161103. doi: 10.1063/1.2917799. J Chem Phys. 2008. PMID: 18447414 Free article.

5

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

6

Tunneling matrix element and tunneling pathways of protein electron transfer calculated with a fragment molecular orbital method.

Kitoh-Nishioka H, Shigeta Y, Ando K. Kitoh-Nishioka H, et al. Among authors: shigeta y. J Chem Phys. 2020 Sep 14;153(10):104104. doi: 10.1063/5.0018423. J Chem Phys. 2020. PMID: 32933280

7

Calculation of the permeability coefficients of small molecules through lipid bilayers by free-energy reaction network analysis following the explicit treatment of the internal conformation of the solute.

Mitsuta Y, Asada T, Shigeta Y. Mitsuta Y, et al. Among authors: shigeta y. Phys Chem Chem Phys. 2022 Nov 2;24(42):26070-26082. doi: 10.1039/d2cp03678a. Phys Chem Chem Phys. 2022. PMID: 36268802

8

Observation of proton-transfer-coupled spin transition by single-crystal neutron-diffraction measurement.

Nakanishi T, Hori Y, Shigeta Y, Sato H, Wu SQ, Kiyanagi R, Munakata K, Ohhara T, Sato O. Nakanishi T, et al. Among authors: shigeta y. Phys Chem Chem Phys. 2023 May 3;25(17):12394-12400. doi: 10.1039/d3cp00527e. Phys Chem Chem Phys. 2023. PMID: 37092303

9

Dynamic charge fluctuation of endohedral fullerene with coencapsulated Be atom and H2.

Shigeta Y, Takatsuka K. Shigeta Y, et al. J Chem Phys. 2005 Oct 1;123(13):131101. doi: 10.1063/1.2055287. J Chem Phys. 2005. PMID: 16223267

10

Quantal cumulant dynamics: general theory.

Shigeta Y, Miyachi H, Hirao K. Shigeta Y, et al. J Chem Phys. 2006 Dec 28;125(24):244102. doi: 10.1063/1.2404677. J Chem Phys. 2006. PMID: 17199335

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