Research output per year
Research output per year
- 46 results
Search results
-
2024
Comment on “Sum-frequency vibrational spectroscopy of centrosymmetric molecule at interfaces” [J. Chem. Phys. 158, 074701 (2023)]
Hirano, T., Kumagai, K., Ishiyama, T. & Morita, A., 2024/03/14, In: Journal of Chemical Physics. 160, 10, 107101.Research output: Contribution to journal › Comment/debate
Open Access3 Scopus citations -
Detecting Centrosymmetric Molecular Ions at an Interface with Vibrational Sum Frequency Generation Spectroscopy
Mandal, B., Dadashi, S., Kumagai, K., Hirano, T., Ishiyama, T., Abou-Hatab, S., Zou, Y., Matsika, S., Morita, A. & Borguet, E., 2024/12/19, In: Journal of Physical Chemistry C. 128, 50, p. 21508-21517 10 p.Research output: Contribution to journal › Article › peer-review
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Energy relaxation pathways and their isotope effects of water bending mode in liquid phase: A nonequilibrium ab initio molecular dynamics simulation study
Ishiyama, T., 2024/01/01, In: Chemical Physics. 576, 112086.Research output: Contribution to journal › Article › peer-review
2 Scopus citations -
Enhanced Entanglement Density and Its Implication on Chain Diffusion Dynamics at the Air/Polyethylene Melt Interface
Kyoda, N. & Ishiyama, T., 2024/11/12, In: Macromolecules. 57, 21, p. 10463-10473 11 p.Research output: Contribution to journal › Article › peer-review
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Molecular Dynamics Study of Hydrogen Bond Structure and Tensile Strength for Hydrated Amorphous Cellulose
Nakamura, T. & Ishiyama, T., 2024/11/11, In: Biomacromolecules. 25, 11, p. 7249-7259 11 p.Research output: Contribution to journal › Article › peer-review
2 Scopus citations -
Molecular dynamics study of N,N′-di-n-alkyl-3,4,9,10-perylenetetracarboxylic diimide (PTCDI)/rubrene interface: Why the charge transfer at the interface is optimized depending on the alkyl chain length of PTCDI
Ishiyama, T., Morimoto, M. & Naka, S., 2024/10/28, In: Journal of Chemical Physics. 161, 16, 164706.Research output: Contribution to journal › Article › peer-review
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Orientational Disorder of Alcohol Molecules at Their Solution Surfaces in Low Concentration Range: A Molecular Dynamics Simulation Study
Hirose, M. & Ishiyama, T., 2024/11/21, In: Journal of Physical Chemistry B. 128, 46, p. 11450-11459 10 p.Research output: Contribution to journal › Article › peer-review
1 Scopus citations -
2023
Formation of Long-Lived Dark States during Electronic Relaxation of Pyrimidine Nucleobases Studied Using Extreme Ultraviolet Time-Resolved Photoelectron Spectroscopy
Miura, Y., Yamamoto, Y. I., Karashima, S., Orimo, N., Hara, A., Fukuoka, K., Ishiyama, T. & Suzuki, T., 2023/02/15, In: Journal of the American Chemical Society. 145, 6, p. 3369-3381 13 p.Research output: Contribution to journal › Article › peer-review
Open Access27 Scopus citations -
2022
Adsorption Energetics of Amino Acid Analogs on Polymer/Water Interfaces Studied by All-Atom Molecular Dynamics Simulation and a Theory of Solutions
Yasoshima, N., Ishiyama, T. & Matubayasi, N., 2022/06/16, In: Journal of Physical Chemistry B. 126, 23, p. 4389-4400 12 p.Research output: Contribution to journal › Article › peer-review
Open Access7 Scopus citations -
Why the Photochemical Reaction of Phenol Becomes Ultrafast at the Air-Water Interface: The Effect of Surface Hydration
Ishiyama, T., Tahara, T. & Morita, A., 2022/04/13, In: Journal of the American Chemical Society. 144, 14, p. 6321-6325 5 p.Research output: Contribution to journal › Article › peer-review
Open Access28 Scopus citations -
「富岳」成果創出加速プログラム「環境適合型機能性化学品」
Matubayasi, N., Ishiyama, T., Yasuoka, K., Ogata, S. & Fujimoto, K., 2022/01, In: 分子シミュレーション学会アンサンブル. 24, 22-31Research output: Contribution to journal › Review article
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2021
Ab initio molecular dynamics study on energy relaxation path of hydrogen-bonded OH vibration in bulk water
Ishiyama, T., 2021/05/28, In: Journal of Chemical Physics. 154, 20, 204502.Research output: Contribution to journal › Article › peer-review
7 Scopus citations -
Energy relaxation dynamics of hydrogen-bonded OH vibration conjugated with free OH bond at an air/water interface
Ishiyama, T., 2021/10/21, In: Journal of Chemical Physics. 155, 15, 154703.Research output: Contribution to journal › Article › peer-review
5 Scopus citations -
Energy relaxation path of excited free OH vibration at an air/water interface revealed by nonequilibrium ab initio molecular dynamics simulation
Ishiyama, T., 2021/03/14, In: Journal of Chemical Physics. 154, 10, 0038709.Research output: Contribution to journal › Article › peer-review
11 Scopus citations -
Exploration of Gas-Liquid Interfaces for Liquid Water and Methanol Using Extreme Ultraviolet Laser Photoemission Spectroscopy
Yamamoto, Y. I., Ishiyama, T., Morita, A. & Suzuki, T., 2021/09/23, In: Journal of Physical Chemistry B. 125, 37, p. 10514-10526 13 p.Research output: Contribution to journal › Article › peer-review
7 Scopus citations -
Molecular Structure and Vibrational Spectra of Water Molecules Sorbed in Poly(2-methoxyethylacrylate) Revealed by Molecular Dynamics Simulation
Yasoshima, N., Ishiyama, T., Gemmei-Ide, M. & Matubayasi, N., 2021/11/04, In: Journal of Physical Chemistry B. 125, 43, p. 12095-12103 9 p.Research output: Contribution to journal › Article › peer-review
9 Scopus citations -
2020
Bi-layering at ionic liquid surfaces: a sum-frequency generation vibrational spectroscopy- And molecular dynamics simulation-based study
Iwahashi, T., Ishiyama, T., Sakai, Y., Morita, A., Kim, D. & Ouchi, Y., 2020/06/14, In: Physical Chemistry Chemical Physics. 22, 22, p. 12565-12576 12 p.Research output: Contribution to journal › Article › peer-review
14 Scopus citations -
2019
Molecular structure and vibrational spectra at water/poly(2-methoxyethylacrylate) and water/poly(methyl methacrylate) interfaces: A molecular dynamics simulation study
Kishinaka, S., Morita, A. & Ishiyama, T., 2019/01/28, In: Journal of Chemical Physics. 150, 4, 044707.Research output: Contribution to journal › Article › peer-review
21 Scopus citations -
Nuclear Quantum Effect on the χ(2) Band Shape of Vibrational Sum Frequency Generation Spectra of Normal and Deuterated Water Surfaces
Ishiyama, T. & Morita, A., 2019/09/05, In: Journal of Physical Chemistry Letters. 10, 17, p. 5070-5075 6 p.Research output: Contribution to journal › Article › peer-review
15 Scopus citations -
Stimuli-Responsive Room-Temperature N-Heteroacene Liquid: In Situ Observation of the Self-Assembling Process and Its Multiple Properties
Isoda, K., Ishiyama, T., Mutoh, Y. & Matsukuma, D., 2019/03/27, In: ACS Applied Materials and Interfaces. 11, 12, p. 12053-12062 10 p.Research output: Contribution to journal › Article › peer-review
30 Scopus citations -
Topologically disordered mesophase at the topmost surface layer of crystalline ice between 120 and 200 K
Sugimoto, T., Otsuki, Y., Ishiyama, T., Morita, A., Watanabe, K. & Matsumoto, Y., 2019/03/05, In: Physical Review B. 99, 12, 121402.Research output: Contribution to journal › Article › peer-review
14 Scopus citations -
和周波発生振動分光計測と分子シミュレーションからみる氷表面の分子構造
Sugimoto, T. & Ishiyama, T., 2019/07, In: 分子シミュレーション学会アンサンブル. 21, 177-184Research output: Contribution to journal › Article
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2018
Microscopic investigation of ethylene carbonate interface: A molecular dynamics and vibrational spectroscopic study
Wang, L., Xin, L., Ishiyama, T., Peng, Q., Ye, S. & Morita, A., 2018/04/13, In: Wuli Huaxue Xuebao/ Acta Physico - Chimica Sinica. 34, 10, p. 1124-1135 12 p.Research output: Contribution to journal › Article › peer-review
Open Access7 Scopus citations -
Molecular dynamics study of structure and vibrational spectra at zwitterionoic lipid/aqueous KCl, NaCl, and CaCl2 solution interfaces
Ishiyama, T., Shirai, S., Okumura, T. & Morita, A., 2018/06/14, In: Journal of Chemical Physics. 148, 22, 222801.Research output: Contribution to journal › Article › peer-review
17 Scopus citations -
Structure at the air/water interface in the presence of phenol: A study using heterodyne-detected vibrational sum frequency generation and molecular dynamics simulation
Kusaka, R., Ishiyama, T., Nihonyanagi, S., Morita, A. & Tahara, T., 2018/02/07, In: Physical Chemistry Chemical Physics. 20, 5, p. 3002-3009 8 p.Research output: Contribution to journal › Article › peer-review
38 Scopus citations -
2017
Computational Analysis of Vibrational Sum Frequency Generation Spectroscopy
Ishiyama, T. & Morita, A., 2017/05/05, In: Annual Review of Physical Chemistry. 68, p. 355-377 23 p.Research output: Contribution to journal › Review article › peer-review
Open Access41 Scopus citations -
Diffusion-Controlled Recrystallization of Water Sorbed into Poly(meth)acrylates Revealed by Variable-Temperature Mid-Infrared Spectroscopy and Molecular Dynamics Simulation
Yasoshima, N., Fukuoka, M., Kitano, H., Kagaya, S., Ishiyama, T. & Gemmei-Ide, M., 2017/05/18, In: Journal of Physical Chemistry B. 121, 19, p. 5133-5141 9 p.Research output: Contribution to journal › Article › peer-review
Open Access22 Scopus citations -
Experimental and theoretical evidence for bilayer-bybilayer surface melting of crystalline ice
Alejandra Sánchez, M., Kling, T., Ishiyama, T., Van Zadel, M. J., Bisson, P. J., Mezger, M., Jochum, M. N., Cyran, J. D., Smit, W. J., Bakker, H. J., Shultz, M. J., Morita, A., Donadio, D., Nagata, Y., Bonn, M. & Backus, E. H. G., 2017/01/10, In: Proceedings of the National Academy of Sciences of the United States of America. 114, 2, p. 227-232 6 p.Research output: Contribution to journal › Article › peer-review
Open Access146 Scopus citations -
Theoretical and experimental examination of SFG polarization analysis at acetonitrile-water solution surfaces
Saito, K., Peng, Q., Qiao, L., Wang, L., Joutsuka, T., Ishiyama, T., Ye, S. & Morita, A., 2017, In: Physical Chemistry Chemical Physics. 19, 13, p. 8941-8961 21 p.Research output: Contribution to journal › Article › peer-review
24 Scopus citations -
Theoretical Investigation of C-H Vibrational Spectroscopy. 1. Modeling of Methyl and Methylene Groups of Ethanol with Different Conformers
Wang, L., Ishiyama, T. & Morita, A., 2017/09/14, In: Journal of Physical Chemistry A. 121, 36, p. 6687-6700 14 p.Research output: Contribution to journal › Article › peer-review
30 Scopus citations -
Theoretical Investigation of C-H Vibrational Spectroscopy. 2. Unified Assignment Method of IR, Raman, and Sum Frequency Generation Spectra of Ethanol
Wang, L., Ishiyama, T. & Morita, A., 2017/09/14, In: Journal of Physical Chemistry A. 121, 36, p. 6701-6712 12 p.Research output: Contribution to journal › Article › peer-review
25 Scopus citations -
Unveiling subsurface hydrogen-bond structure of hexagonal water ice
Otsuki, Y., Sugimoto, T., Ishiyama, T., Morita, A., Watanabe, K. & Matsumoto, Y., 2017/09/05, In: Physical Review B. 96, 11, 115405.Research output: Contribution to journal › Article › peer-review
40 Scopus citations -
2016
Bend Vibration of Surface Water Investigated by Heterodyne-Detected Sum Frequency Generation and Theoretical Study: Dominant Role of Quadrupole
Kundu, A., Tanaka, S., Ishiyama, T., Ahmed, M., Inoue, K. I., Nihonyanagi, S., Sawai, H., Yamaguchi, S., Morita, A. & Tahara, T., 2016/07/07, In: Journal of Physical Chemistry Letters. 7, 13, p. 2597-2601 5 p.Research output: Contribution to journal › Article › peer-review
58 Scopus citations -
Efficient Spectral Diffusion at the Air/Water Interface Revealed by Femtosecond Time-Resolved Heterodyne-Detected Vibrational Sum Frequency Generation Spectroscopy
Inoue, K. I., Ishiyama, T., Nihonyanagi, S., Yamaguchi, S., Morita, A. & Tahara, T., 2016/05/19, In: Journal of Physical Chemistry Letters. 7, 10, p. 1811-1815 5 p.Research output: Contribution to journal › Article › peer-review
46 Scopus citations -
Hydrogen-Bonding Structure at Zwitterionic Lipid/Water Interface
Ishiyama, T., Terada, D. & Morita, A., 2016/01/21, In: Journal of Physical Chemistry Letters. 7, 2, p. 216-220 5 p.Research output: Contribution to journal › Article › peer-review
63 Scopus citations -
2015
Liquid/liquid interface layering of 1-butanol and [bmim]PF6 ionic liquid: A nonlinear vibrational spectroscopy and molecular dynamics simulation study
Iwahashi, T., Ishiyama, T., Sakai, Y., Morita, A., Kim, D. & Ouchi, Y., 2015/08/03, In: Physical Chemistry Chemical Physics. 17, 38, p. 24587-24597 11 p.Research output: Contribution to journal › Article › peer-review
20 Scopus citations -
Molecular dynamics study of two-dimensional sum frequency generation spectra at vapor/water interface
Ishiyama, T., Morita, A. & Tahara, T., 2015/06/07, In: Journal of Chemical Physics. 142, 21, 212407.Research output: Contribution to journal › Article › peer-review
19 Scopus citations -
Surface structure of methanol/water solutions via sum frequency orientational analysis and molecular dynamics simulation
Ishihara, T., Ishiyama, T. & Morita, A., 2015/05/07, In: Journal of Physical Chemistry C. 119, 18, p. 9879-9889 11 p.Research output: Contribution to journal › Article › peer-review
37 Scopus citations -
2014
A direct evidence of vibrationally delocalized response at ice surface
Ishiyama, T. & Morita, A., 2014/11/14, In: Journal of Chemical Physics. 141, 18, 18C503.Research output: Contribution to journal › Article › peer-review
9 Scopus citations -
Molecular dynamics analysis of NaOH aqueous solution surface and the sum frequency generation spectra: Is surface OH- detected by SFG spectroscopy?
Imamura, T., Ishiyama, T. & Morita, A., 2014/12/18, In: Journal of Physical Chemistry C. 118, 50, p. 29017-29027 11 p.Research output: Contribution to journal › Article › peer-review
17 Scopus citations -
Theoretical studies of structures and vibrational sum frequency generation spectra at aqueous interfaces
Ishiyama, T., Imamura, T. & Morita, A., 2014/09/10, In: Chemical Reviews. 114, 17, p. 8447-8470 24 p.Research output: Contribution to journal › Review article › peer-review
134 Scopus citations -
Theory and efficient computation of differential vibrational spectra
Sakaguchi, S., Ishiyama, T. & Morita, A., 2014/04/14, In: Journal of Chemical Physics. 140, 14, 144109.Research output: Contribution to journal › Article › peer-review
12 Scopus citations -
2013
Nonequilibrium kinetic boundary condition at the vapor-liquid interface of argon
Ishiyama, T., Fujikawa, S., Kurz, T. & Lauterborn, W., 2013/10/15, In: Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 88, 4, 042406.Research output: Contribution to journal › Article › peer-review
37 Scopus citations -
Real-time observation of the destruction of hydration shells under electrochemical force
Yamakata, A., Soeta, E., Ishiyama, T., Osawa, M. & Morita, A., 2013/10/09, In: Journal of the American Chemical Society. 135, 40, p. 15033-15039 7 p.Research output: Contribution to journal › Article › peer-review
40 Scopus citations -
2012
Molecular dynamics study of phase transfer catalyst for ion transfer through water-chloroform interface
Kikkawa, N., Ishiyama, T. & Morita, A., 2012/05/01, In: Chemical Physics Letters. 534, p. 19-22 4 p.Research output: Contribution to journal › Article › peer-review
23 Scopus citations -
2006
Intermolecular correlation effect in sum frequency generation spectroscopy of electrolyte aqueous solution
Ishiyama, T. & Morita, A., 2006/11/11, In: Chemical Physics Letters. 431, 1-3, p. 78-82 5 p.Research output: Contribution to journal › Article › peer-review
29 Scopus citations