研究成果 1989 2019

2019

Experimental Determination of the Photooxidation of Aqueous I- as a Source of Atmospheric I2

Watanabe, K., Matsuda, S., Cuevas, C. A., Saiz-Lopez, A., Yabushita, A. & Nakano, Y., 4 18 2019, : : ACS Earth and Space Chemistry. 3, 4, p. 669-679 11 p.

研究成果: ジャーナルへの寄稿記事

Photooxidation
photooxidation
iodide
Iodides
iodides
Polypropylene
Borates
Polypropylenes
Structural Change
Polymerization
Polyenes
Mirrors
mirrors
orbitals
Electron energy levels

Optimization of growth procedure for silicon oxinitride (Si4O5N3) single-layer on SiC(0001)

Kabiruzzaman, M., Nakagawa, T. & Mizuno, S., 2 12 2019, 2018 Joint 7th International Conference on Informatics, Electronics and Vision and 2nd International Conference on Imaging, Vision and Pattern Recognition, ICIEV-IVPR 2018. Institute of Electrical and Electronics Engineers Inc., p. 218-221 4 p. 8641044. (2018 Joint 7th International Conference on Informatics, Electronics and Vision and 2nd International Conference on Imaging, Vision and Pattern Recognition, ICIEV-IVPR 2018).

研究成果: 著書/レポートタイプへの貢献会議での発言

Low energy electron diffraction
Diffraction patterns
Silicon
Electron
Diffraction
1 引用 (Scopus)

Rational Method of Monitoring Molecular Transformations on Metal-Oxide Nanowire Surfaces

Wang, C., Hosomi, T., Nagashima, K., Takahashi, T., Zhang, G., Kanai, M., Zeng, H., Mizukami, W., Shioya, N., Shimoaka, T., Tamaoka, T., Yoshida, H., Takeda, S., Yasui, T., Baba, Y., Aoki, Y., Terao, J., Hasegawa, T. & Yanagida, T., 4 10 2019, : : Nano Letters. 19, 4, p. 2443-2449 7 p.

研究成果: ジャーナルへの寄稿記事

Oxides
Nanowires
metal oxides
nanowires
Metals

Structural investigation and magnetic properties of oxygen adsorption on ultrathin Fe(110) film

Nishihara, K., Nomitsu, T., Nakagawa, T. & Mizuno, S., 7 1 2019, : : Surface Science. 685, p. 34-39 6 p.

研究成果: ジャーナルへの寄稿記事

Magnetic properties
Low energy electron diffraction
Oxygen
magnetic properties
Adsorption

趋于线性标度的增长法:基于局域定域分子轨道的双电子积分

Price, D. R., Peng, L., Li, S., Gu, F. & Aoki, Y., 1 1 2019, : : Zhongshan Daxue Xuebao/Acta Scientiarum Natralium Universitatis Sunyatseni. 58, 1, p. 91-102 12 p.

研究成果: ジャーナルへの寄稿記事

elongation
molecular orbitals
scaling
orbitals
electrons
2018

Ab initio electronic structure calculation of polymononucleotide, a model of B-type DNA

Teramae, H. & Aoki, Y., 11 30 2018, International Conference of Computational Methods in Sciences and Engineering 2018, ICCMSE 2018. Simos, T. E., Kalogiratou, Z., Monovasilis, T., Simos, T. E. & Simos, T. E. (版). American Institute of Physics Inc., 巻 2040. 020013

研究成果: 著書/レポートタイプへの貢献会議での発言

helices
deoxyribonucleic acid
electronic structure
guanines
sodium

CO2 formation yields from different States of CO adsorbed on amorphous solid water under 157nm photoirradiation

Matsuda, S., Yamazaki, M., Harata, A. & Yabushita, A., 1 1 2018, : : Chemistry Letters. 47, 4, p. 468-471 4 p.

研究成果: ジャーナルへの寄稿記事

Carbon Monoxide
Water
Ice
Photodissociation
Adsorption

Coadsorption study of Pb and Sb on Cu(001) by low energy electron diffraction

Kabiruzzaman, M., Ahmed, R., Nakagawa, T. & Mizuno, S., 4 16 2018, 2017 6th International Conference on Informatics, Electronics and Vision and 2017 7th International Symposium in Computational Medical and Health Technology, ICIEV-ISCMHT 2017. Institute of Electrical and Electronics Engineers Inc., p. 1-5 5 p. 8338577. (2017 6th International Conference on Informatics, Electronics and Vision and 2017 7th International Symposium in Computational Medical and Health Technology, ICIEV-ISCMHT 2017; 巻数 2018-January).

研究成果: 著書/レポートタイプへの貢献会議での発言

Low energy electron diffraction
Electrons
Computer Simulation
Diffraction patterns
Temperature
6 引用 (Scopus)

Improved model for the isosteric heat of adsorption and impacts on the performance of heat pump cycles

Azahar, F. H. M., Mitra, S., Yabushita, A., Harata, A., Saha, B. B. & Kyaw, T., 10 1 2018, : : Applied Thermal Engineering. 143, p. 688-700 13 p.

研究成果: ジャーナルへの寄稿記事

Pumps
Adsorption
Hot Temperature
Vacuum
Gases

Investigation of magnetic dead layer on iron silicide surfaces

Kibria, M. T., Nomitsu, T., Nakagawa, T. & Mizuno, S., 4 26 2018, : : e-Journal of Surface Science and Nanotechnology. 16, p. 101-104 4 p.

研究成果: ジャーナルへの寄稿記事

Iron
iron
Silicon
Temperature
Optical Kerr effect

Investigation of Magnetic Dead Layer on Iron Silicide Surfaces

Kibria, M. T., Nomitsu, T., Nakagawa, T. & Mizuno, S., 4 26 2018, : : e-Journal of Surface Science and Nanotechnology. 16, p. 101-104 4 p.

研究成果: ジャーナルへの寄稿記事

Iron
iron
Silicon
Temperature
Optical Kerr effect
5 引用 (Scopus)

Large Hydrogen-Bond Mismatch between TMAO and Urea Promotes Their Hydrophobic Association

Xie, W. J., Cha, S., Ohto, T., Mizukami, W., Mao, Y., Wagner, M., Bonn, M., Hunger, J. & Nagata, Y., 11 8 2018, : : Chem. 4, 11, p. 2615-2627 13 p.

研究成果: ジャーナルへの寄稿記事

Urea
urea
Hydrogen
Hydrogen bonds
oxide
2 引用 (Scopus)

One-Handed Helical Orbitals in Conjugated Molecules

Aoki, Y., Orimoto, Y. & Imamura, A., 6 27 2018, : : ACS Central Science. 4, 6, p. 664-665 2 p.

研究成果: ジャーナルへの寄稿小調査

Molecules
Low energy electron diffraction
Adsorbates
electron diffraction
Atoms
Bond length
1 引用 (Scopus)

Role of Pyridinium Groups and Iodide Ions in Photoelectrochromism in Viologen-Based Ion-Pair Charge-Transfer Complexes: Molecular Orbital Analysis

Orimoto, Y., Ishimoto, K. & Aoki, Y., 3 1 2018, : : Journal of Physical Chemistry C. 122, 8, p. 4546-4556 11 p.

研究成果: ジャーナルへの寄稿記事

Viologens
Iodides
Molecular orbitals
iodides
Charge transfer
2017
2 引用 (Scopus)

1D chain formation by coadsorption of Pb and Bi on Cu(001): Determination using low energy electron diffraction

Kabiruzzaman, M., Ahmed, R., Nakagawa, T. & Mizuno, S., 10 1 2017, : : Surface Science. 664, p. 70-75 6 p.

研究成果: ジャーナルへの寄稿記事

Low energy electron diffraction
electron diffraction
Atoms
atoms
Vacancies
2 引用 (Scopus)

An attempt at ab initio crystal orbital calculation of electronic structure of B-type model-DNA

Teramae, H. & Aoki, Y., 11 28 2017, Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2017, ICCMSE 2017. Simos, T. E., Simos, T. E., Simos, T. E., Monovasilis, T. & Kalogiratou, Z. (版). American Institute of Physics Inc., 030023. (AIP Conference Proceedings; 巻数 1906).

研究成果: 著書/レポートタイプへの貢献会議での発言

deoxyribonucleic acid
electronic structure
orbitals
helices
conduction bands
1 引用 (Scopus)

Photoionization of environmentally polluting aromatic chlorides and nitrides on the water surface by laser and synchrotron radiations

Sato, M., Maeda, Y., Ishioka, T. & Harata, A., 12 7 2017, : : Analyst. 142, 23, p. 4560-4569 10 p.

研究成果: ジャーナルへの寄稿記事

Photoionization
Synchrotrons
Laser radiation
Synchrotron radiation
Nitrides
1 引用 (Scopus)

Step-by-step growth of an epitaxial Si4O5N3 single layer on SiC(0001) in ultrahigh vacuum

Mizuno, S., Matsuo, T. & Nakagawa, T., 7 1 2017, : : Surface Science. 661, p. 22-27 6 p.

研究成果: ジャーナルへの寄稿記事

Ultrahigh vacuum
ultrahigh vacuum
Silicon
Silicates
Graphite
1 引用 (Scopus)

Theoretical Study of Cu Intercalation through a Defect in Zero-Layer Graphene on SiC Surface

Orimoto, Y., Otsuka, K., Yagyu, K., Tochihara, H., Suzuki, T. & Aoki, Y., 4 6 2017, : : Journal of Physical Chemistry C. 121, 13, p. 7294-7302 9 p.

研究成果: ジャーナルへの寄稿記事

Graphite
Intercalation
intercalation
Graphene
graphene
2014
19 引用 (Scopus)

Changes in the geometries of C2H2 and C2H4 on coordination to CuCl revealed by broadband rotational spectroscopy and ab-initio calculations

Stephens, S. L., Bittner, D. M., Mikhailov, V. A., Mizukami, W., Tew, D. P., Walker, N. R. & Legon, A. C., 10 6 2014, : : Inorganic Chemistry. 53, 19, p. 10722-10730 9 p.

研究成果: ジャーナルへの寄稿記事

Spectroscopy
broadband
Geometry
Atoms
geometry
8 引用 (Scopus)

Distortion of ethyne on coordination to silver acetylide, C 2H2⋯AgCCH, characterised by broadband rotational spectroscopy and ab initio calculations

Stephens, S. L., Zaleski, D. P., Mizukami, W., Tew, D. P., Walker, N. R. & Legon, A. C., 3 28 2014, : : Journal of Chemical Physics. 140, 12, 124310.

研究成果: ジャーナルへの寄稿記事

Acetylene
Silver
silver
Spectroscopy
broadband
2013
15 引用 (Scopus)

Photochemical reaction processes during vacuum-ultraviolet irradiation of water ice

Yabushita, A., Hama, T. & Kawasaki, M., 9 1 2013, : : Journal of Photochemistry and Photobiology C: Photochemistry Reviews. 16, p. 46-61 16 p.

研究成果: ジャーナルへの寄稿評論記事

Photochemical reactions
Ice
photochemical reactions
ice
Irradiation
12 引用 (Scopus)

Tropospheric aerosol as a reactive intermediate

Colussi, A. J., Enami, S., Yabushita, A., Hoffmann, M. R., Liu, W. G., Mishra, H. & Goddard, W. A., 10 18 2013, : : Faraday Discussions. 165, p. 407-420 14 p.

研究成果: ジャーナルへの寄稿記事

Photolysis
Aerosols
Anions
photolysis
aerosols
2012
14 引用 (Scopus)

H 2S⋯Ag-I synthesized by a laser-ablation method and identified by its rotational spectrum

Riaz, S. Z., Stephens, S. L., Mizukami, W., Tew, D. P., Walker, N. R. & Legon, A. C., 4 2 2012, : : Chemical Physics Letters. 531, p. 1-5 5 p.

研究成果: ジャーナルへの寄稿記事

rotational spectra
Laser ablation
laser ablation
Halogens
Geometry
2011
3 引用 (Scopus)

A dual-level approach to four-component relativistic density-functional theory

Mizukami, W., Nakajima, T., Hirao, K. & Yanai, T., 5 18 2011, : : Chemical Physics Letters. 508, 1-3, p. 177-181 5 p.

研究成果: ジャーナルへの寄稿記事

Density functional theory
density functional theory
Hamiltonians
estimating
approximation
8 引用 (Scopus)

Characterization of aerosol particles in the Tokyo metropolitan area using two different particle mass spectrometers

Xing, J. H., Takahashi, K., Yabushita, A., Kinugawa, T., Nakayama, T., Matsumi, Y., Tonokura, K., Takami, A., Imamura, T., Sato, K., Kawasaki, M., Hikida, T. & Shimono, A., 3 1 2011, : : Aerosol Science and Technology. 45, 3, p. 315-326 12 p.

研究成果: ジャーナルへの寄稿記事

Particle spectrometers
Mass spectrometers
Aerosols
Particles (particulate matter)
metropolitan area
27 引用 (Scopus)

Conversion of gaseous nitrogen dioxide to nitrate and nitrite on aqueous surfactants

Kinugawa, T., Enami, S., Yabushita, A., Kawasaki, M., Hoffmann, M. R. & Colussi, A. J., 3 21 2011, : : Physical Chemistry Chemical Physics. 13, 11, p. 5144-5149 6 p.

研究成果: ジャーナルへの寄稿記事

Nitrogen Dioxide
nitrogen dioxide
nitrites
Nitrites
Surface-Active Agents

Ion formation processes in laser ablation of multicomponent inorganic particles relevant to single particle laser analysis of atmospheric aerosols

Yabushita, A., Kinugawa, T., Narukawa, M., Takahashi, K., Kawasaki, M. & Matsumi, Y., 4 22 2011, : : Chemistry Letters. 40, 5, p. 446-448 3 p.

研究成果: ジャーナルへの寄稿記事

Atmospheric aerosols
Laser ablation
Particles (particulate matter)
Salts
Ammonium Compounds
1 引用 (Scopus)

Surface abundance change in vacuum ultraviolet photodissociation of CO 2 and H2O mixture ices

Kinugawa, T., Yabushita, A., Kawasaki, M., Hama, T. & Watanabe, N., 9 21 2011, : : Physical Chemistry Chemical Physics. 13, 35, p. 15785-15791 7 p.

研究成果: ジャーナルへの寄稿記事

Photodissociation
Ice
Carbon Monoxide
photodissociation
ice
29 引用 (Scopus)

Weak acids enhance halogen activation on atmospheric waters surfaces

Hayase, S., Yabushita, A., Kawasaki, M., Enami, S., Hoffmann, M. R. & Colussi, A. J., 5 19 2011, : : Journal of Physical Chemistry A. 115, 19, p. 4935-4940 6 p.

研究成果: ジャーナルへの寄稿記事

Halogens
Aerosols
surface water
halogens
aerosols
2010
5 引用 (Scopus)

Role of OH radicals in the formation of oxygen molecules following vacuum ultraviolet photodissociation of amorphous solid water

Hama, T., Yokoyama, M., Yabushita, A. & Kawasaki, M., 9 14 2010, : : Journal of Chemical Physics. 133, 10, 104504.

研究成果: ジャーナルへの寄稿記事

Photodissociation
photodissociation
Vacuum
Oxygen
vacuum
2009
16 引用 (Scopus)
Polyenes
Excited states
Stretching
Fluorescence
Wave functions
48 引用 (Scopus)

Direct emission of I 2 molecule and IO radical from the heterogeneous reactions of gaseous ozone with aqueous potassium iodide solution

Sakamoto, Y., Yabushita, A., Kawasaki, M. & Enami, S., 7 9 2009, : : Journal of Physical Chemistry A. 113, 27, p. 7707-7713 7 p.

研究成果: ジャーナルへの寄稿記事

potassium iodides
Potassium Iodide
Halogens
Ozone
halogens
19 引用 (Scopus)

Formation mechanisms of oxygen atoms in the O(1D2) state from the 157 nm photoirradiation of amorphous water ice at 90 K

Hama, T., Yabushita, A., Yokoyama, M., Kawasaki, M. & Watanabe, N., 12 1 2009, : : Journal of Chemical Physics. 131, 11, 114510.

研究成果: ジャーナルへの寄稿記事

Ice
oxygen atoms
ice
Photolysis
Oxygen
2008
4 引用 (Scopus)

Modelling the impact of possible snowpack emissions of O(3P) and NO2 on photochemistry in the South Pole boundary layer

Hamer, P. D., Shallcross, D. E., Yabushita, A. & Kawasaki, M., 9 1 2008, : : Environmental Chemistry. 5, 4, p. 268-273 6 p.

研究成果: ジャーナルへの寄稿記事

Photochemical reactions
Ozone
photochemistry
snowpack
Poles
2007
14 引用 (Scopus)

Real-time analysis of secondary organic aerosol particles formed from cyclohexene ozonolysis using a laser-ionization single-particle aerosol mass spectrometer

Narukawa, M., Matsumi, Y., Matsumoto, J., Takahashi, K., Yabushita, A., Sato, K. & Imamura, T., 1 1 2007, : : analytical sciences. 23, 5, p. 507-512 6 p.

研究成果: ジャーナルへの寄稿記事

Mass spectrometers
Aerosols
Ionization
Lasers
Negative ions
2006
37 引用 (Scopus)

Photodissociation of polycrystalline and amorphous water ice films at 157 and 193 nm

Yabushita, A., Kanda, D., Kawanaka, N., Kawasaki, M. & Ashfold, M. N. R., 10 12 2006, : : Journal of Chemical Physics. 125, 13, 133406.

研究成果: ジャーナルへの寄稿記事

Photodissociation
Ice
photodissociation
ice
Water
20 引用 (Scopus)

Scavenging of pollutant acid substances by Asian mineral dust particles

Matsumoto, J., Takahashi, K., Matsumi, Y., Yabushita, A., Shimizu, A., Matsui, I. & Sugimoto, N., 4 16 2006, : : Geophysical Research Letters. 33, 7, L07816.

研究成果: ジャーナルへの寄稿記事

scavenging
contaminants
dust
minerals
sulfates
2004
5 引用 (Scopus)

Optimal control of ultrafast selection

Yokoyama, K., Teranishi, Y., Toya, Y., Shirai, T., Fukuda, Y., Aoyama, M., Akahane, Y., Inoue, N., Ueda, H., Yamakawa, K., Yokoyama, A., Yamada, H., Yabushita, A. & Sugita, A., 5 22 2004, : : Journal of Chemical Physics. 120, 20, p. 9446-9449 4 p.

研究成果: ジャーナルへの寄稿記事

optimal control
Excited states
Pulse shaping
Cesium
Lasers
7 引用 (Scopus)
Photodissociation
Ice
photodissociation
ice
Crystalline materials
7 引用 (Scopus)

Photodissociation of N2O4 Adsorbed on Amorphous and Crystalline Water-Ice Films

Yabushita, A., Inoue, Y., Senga, T., Kawasaki, M. & Sato, S., 1 22 2004, : : Journal of Physical Chemistry A. 108, 3, p. 438-446 9 p.

研究成果: ジャーナルへの寄稿記事

Photodissociation
Ice
photodissociation
ice
Crystalline materials
2003
33 引用 (Scopus)

Application of the elongation method to nonlinear optical properties: Finite field approach for calculating static electric (hyper)polarizabilities

Gu, F. L., Aoki, Y., Imamura, A., Bishop, D. M. & Kirtman, B., 1 1 2003, : : Molecular Physics. 101, 10, p. 1487-1494 8 p.

研究成果: ジャーナルへの寄稿記事

Polyacetylenes
elongation
Elongation
Hydrogen
Optical properties
2 引用 (Scopus)

Novel-type charge-transfer complex formation between indoxyl sulfate and anthraquinonesulfonate ions in an aqueous polyelectrolyte solution

Kawabata, Y., Itaya, T., Ueda, K., Ochiai, H., Aoki, Y. & Imamura, A., 3 27 2003, : : Polymer Journal. 35, 1, p. 50-55 6 p.

研究成果: ジャーナルへの寄稿記事

Indican
Polyelectrolytes
Charge transfer
Ions
Polymers
2002
5 引用 (Scopus)

An analytical molecular orbital approach for modeling of low-dimensional conductors in molecular crystals

Tada, T. & Aoki, Y., 2 5 2002, : : International Journal of Quantum Chemistry. 86, 4, p. 401-415 15 p.

研究成果: ジャーナルへの寄稿記事

Molecular crystals
Molecular orbitals
molecular orbitals
conductors
crystals
1 引用 (Scopus)

A quantum chemical study on the phase transition from a π-conjugated stacking system to a covalent bonding system

Sugiki, S. I., Aoki, Y. & Imamura, A., 3 1 2002, : : Journal of Molecular Structure: THEOCHEM. 579, 1-3, p. 45-52 8 p.

研究成果: ジャーナルへの寄稿記事

Diamond
Graphite
Phase Transition
Phase transitions
Molecular orbitals
1 引用 (Scopus)

Poly(para-phenylene) with the end structure of CH2-(C6H4)n-H provides nearly zero band gaps in long chains with n>6

Aoki, Y., Tada, T. & Orimoto, Y., 11 15 2002, : : Physical Review B - Condensed Matter and Materials Physics. 66, 19, p. 1931041-1931044 4 p., 193104.

研究成果: ジャーナルへの寄稿記事

Molecular orbitals
Oligomers
Ethylene
Energy gap
Atoms
1999
1 引用 (Scopus)

On the atomic arrangement on the ZrO/W(100) cathode surface: Models for low-energy electron diffraction

Nakane, H., Kawata, S., Oka, M., Takami, T., Mizuno, S. & Adachi, H., 1999, : : Journal of Vacuum Science & Technology B: Microelectronics Processing and Phenomena. 17, p. 620

研究成果: ジャーナルへの寄稿記事