Research Output 1989 2019

  • 51 Article
  • 4 Conference contribution
  • 1 Short survey
  • 1 Review article
2019

Experimental Determination of the Photooxidation of Aqueous I - as a Source of Atmospheric I 2

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

Research output: Contribution to journalArticle

Photooxidation
photooxidation
iodide
Iodides
iodides
Zirconium compounds
Coordination reactions
Polypropylene
Chemical Analysis
Borates
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., Feb 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).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Low energy electron diffraction
Diffraction patterns
Silicon
Electron
Diffraction
1 Citation (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., Apr 10 2019, In : Nano Letters. 19, 4, p. 2443-2449 7 p.

Research output: Contribution to journalArticle

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., Jul 1 2019, In : Surface Science. 685, p. 34-39 6 p.

Research output: Contribution to journalArticle

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

Translated title of the contribution: Elongation toward linear scaling: Two electron integrals in regionally localized molecular orbital basisPrice, D. R., Peng, L., Li, S., Gu, F. & Aoki, Y., Jan 1 2019, In : Zhongshan Daxue Xuebao/Acta Scientiarum Natralium Universitatis Sunyatseni. 58, 1, p. 91-102 12 p.

Research output: Contribution to journalArticle

elongation
molecular orbitals
scaling
orbitals
electrons
2018

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

Teramae, H. & Aoki, Y., Nov 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. (eds.). American Institute of Physics Inc., Vol. 2040. 020013

Research output: Chapter in Book/Report/Conference proceedingConference contribution

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., Jan 1 2018, In : Chemistry Letters. 47, 4, p. 468-471 4 p.

Research output: Contribution to journalArticle

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., Apr 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; vol. 2018-January).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Low energy electron diffraction
Electrons
Computer Simulation
Diffraction patterns
Temperature
5 Citations (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., Oct 1 2018, In : Applied Thermal Engineering. 143, p. 688-700 13 p.

Research output: Contribution to journalArticle

Pumps
Adsorption
Hot Temperature
Vacuum
Gases

Investigation of magnetic dead layer on iron silicide surfaces

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

Research output: Contribution to journalArticle

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., Apr 26 2018, In : e-Journal of Surface Science and Nanotechnology. 16, p. 101-104 4 p.

Research output: Contribution to journalArticle

Iron
iron
Silicon
Temperature
Optical Kerr effect
5 Citations (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., Nov 8 2018, In : Chem. 4, 11, p. 2615-2627 13 p.

Research output: Contribution to journalArticle

Urea
urea
Hydrogen
Hydrogen bonds
oxide
2 Citations (Scopus)

One-Handed Helical Orbitals in Conjugated Molecules

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

Research output: Contribution to journalShort survey

Molecules
Low energy electron diffraction
Adsorbates
electron diffraction
Atoms
Bond length
1 Citation (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., Mar 1 2018, In : Journal of Physical Chemistry C. 122, 8, p. 4546-4556 11 p.

Research output: Contribution to journalArticle

Viologens
Iodides
Molecular orbitals
iodides
Charge transfer
2017
2 Citations (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., Oct 1 2017, In : Surface Science. 664, p. 70-75 6 p.

Research output: Contribution to journalArticle

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

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

Teramae, H. & Aoki, Y., Nov 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. (eds.). American Institute of Physics Inc., 030023. (AIP Conference Proceedings; vol. 1906).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

deoxyribonucleic acid
electronic structure
orbitals
helices
conduction bands
1 Citation (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., Dec 7 2017, In : Analyst. 142, 23, p. 4560-4569 10 p.

Research output: Contribution to journalArticle

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

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

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

Research output: Contribution to journalArticle

Ultrahigh vacuum
ultrahigh vacuum
Silicon
Silicates
Graphite
1 Citation (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., Apr 6 2017, In : Journal of Physical Chemistry C. 121, 13, p. 7294-7302 9 p.

Research output: Contribution to journalArticle

Graphite
Intercalation
intercalation
Graphene
graphene
2014
19 Citations (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., Oct 6 2014, In : Inorganic Chemistry. 53, 19, p. 10722-10730 9 p.

Research output: Contribution to journalArticle

Spectroscopy
broadband
Geometry
Atoms
geometry
8 Citations (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., Mar 28 2014, In : Journal of Chemical Physics. 140, 12, 124310.

Research output: Contribution to journalArticle

Acetylene
Silver
silver
Spectroscopy
broadband
2013
15 Citations (Scopus)

Photochemical reaction processes during vacuum-ultraviolet irradiation of water ice

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

Research output: Contribution to journalReview article

Photochemical reactions
Ice
photochemical reactions
ice
Irradiation
12 Citations (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., Oct 18 2013, In : Faraday Discussions. 165, p. 407-420 14 p.

Research output: Contribution to journalArticle

Photolysis
Aerosols
Anions
photolysis
aerosols
2012
14 Citations (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., Apr 2 2012, In : Chemical Physics Letters. 531, p. 1-5 5 p.

Research output: Contribution to journalArticle

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

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

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

Research output: Contribution to journalArticle

Density functional theory
density functional theory
Hamiltonians
estimating
approximation
8 Citations (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., Mar 1 2011, In : Aerosol Science and Technology. 45, 3, p. 315-326 12 p.

Research output: Contribution to journalArticle

Particle spectrometers
Mass spectrometers
Aerosols
Particles (particulate matter)
metropolitan area
27 Citations (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., Mar 21 2011, In : Physical Chemistry Chemical Physics. 13, 11, p. 5144-5149 6 p.

Research output: Contribution to journalArticle

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., Apr 22 2011, In : Chemistry Letters. 40, 5, p. 446-448 3 p.

Research output: Contribution to journalArticle

Atmospheric aerosols
Laser ablation
Particles (particulate matter)
Salts
Ammonium Compounds
1 Citation (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., Sep 21 2011, In : Physical Chemistry Chemical Physics. 13, 35, p. 15785-15791 7 p.

Research output: Contribution to journalArticle

Photodissociation
Ice
Carbon Monoxide
photodissociation
ice
29 Citations (Scopus)

Weak acids enhance halogen activation on atmospheric waters surfaces

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

Research output: Contribution to journalArticle

Halogens
Aerosols
surface water
halogens
aerosols
2010
5 Citations (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., Sep 14 2010, In : Journal of Chemical Physics. 133, 10, 104504.

Research output: Contribution to journalArticle

Photodissociation
photodissociation
Vacuum
Oxygen
vacuum
2009
15 Citations (Scopus)
Polyenes
Excited states
Stretching
Fluorescence
Wave functions
47 Citations (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., Jul 9 2009, In : Journal of Physical Chemistry A. 113, 27, p. 7707-7713 7 p.

Research output: Contribution to journalArticle

potassium iodides
Potassium Iodide
Halogens
Ozone
halogens
19 Citations (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., Dec 1 2009, In : Journal of Chemical Physics. 131, 11, 114510.

Research output: Contribution to journalArticle

Ice
oxygen atoms
ice
Photolysis
Oxygen
2008
4 Citations (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., Sep 1 2008, In : Environmental Chemistry. 5, 4, p. 268-273 6 p.

Research output: Contribution to journalArticle

Photochemical reactions
Ozone
photochemistry
snowpack
Poles
2003
33 Citations (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., Jan 1 2003, In : Molecular Physics. 101, 10, p. 1487-1494 8 p.

Research output: Contribution to journalArticle

Polyacetylenes
elongation
Elongation
Hydrogen
Optical properties
2002
5 Citations (Scopus)

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

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

Research output: Contribution to journalArticle

Molecular crystals
Molecular orbitals
molecular orbitals
conductors
crystals
1 Citation (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., Mar 1 2002, In : Journal of Molecular Structure: THEOCHEM. 579, 1-3, p. 45-52 8 p.

Research output: Contribution to journalArticle

Diamond
Graphite
Phase Transition
Phase transitions
Molecular orbitals
1999
1 Citation (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, In : Journal of Vacuum Science & Technology B: Microelectronics Processing and Phenomena. 17, p. 620

Research output: Contribution to journalArticle

1998
4 Citations (Scopus)

Thermochromic crystals of the CT complex between N-salicylidene-2- aminopyridine and 1,3,5-trinitrobenzene

Tanaka, M., Imai, T., Goto, T., Taka, J. I., Akamatsu, M., Kashino, S. & Mogi, K., Jan 1 1998, In : Bulletin of the Chemical Society of Japan. 71, 11, p. 2561-2571 11 p.

Research output: Contribution to journalArticle

X ray analysis
Charge transfer
Absorption spectra
Crystalline materials
Crystals
1997
14 Citations (Scopus)

Ab initio energetic calculations of elementary reactions relevant to low-temperature silane oxidation by gaussian-2 theory

Kondo, S., Tokuhashi, K., Nagai, H., Takahashi, A., Kaise, M., Sugie, M., Aoyagi, M., Mogi, K. & Minamino, S., Aug 21 1997, In : Journal of Physical Chemistry A. 101, 34, p. 6015-6022 8 p.

Research output: Contribution to journalArticle

Silanes
silanes
Oxidation
oxidation
Steam
17 Citations (Scopus)

Geometry optimization of polymers by the elongation method

Mitani, M., Aoki, Y. & Imamura, A., Jan 1 1997, In : International Journal of Quantum Chemistry. 64, 3, p. 301-323 23 p.

Research output: Contribution to journalArticle

elongation
Elongation
Polymers
optimization
Geometry
9 Citations (Scopus)

Thermochromism of the Crystals of 2,3-Bis(phenylthio)-1,4-naphthoquinone

Tanaka, M., Hayashi, H., Matsumoto, S., Kashino, S. & Mogi, K., Jan 1 1997, In : Bulletin of the Chemical Society of Japan. 70, 2, p. 329-337 9 p.

Research output: Contribution to journalArticle

Naphthoquinones
Absorption spectra
Crystal structure
Crystals
Differential scanning calorimetry
1996
2 Citations (Scopus)

Thermochromism of the crystals of 2,3-Di(p-chlorophenylthio)-1,4-naphthoquinone

Hayashi, H., Tanaka, M., Matsumoto, S., Kashino, S. & Mogi, K., Dec 1 1996, In : Molecular Crystals and Liquid Crystals Science and Technology Section A: Molecular Crystals and Liquid Crystals. 285-286, p. 305-310 6 p.

Research output: Contribution to journalArticle

Naphthoquinones
Crystal structure
solid state
Heating
X ray diffraction
1995
20 Citations (Scopus)

Honeycomb structure of adatoms surrounding substituted atoms: Cu(111)-(2×2)-3Li

Mizuno, S., Tochihara, H., Barbieri, A. & Van Hove, M. A., Jan 1 1995, In : Physical Review B. 51, 12, p. 7981-7984 4 p.

Research output: Contribution to journalArticle

honeycomb structures
adatoms
atoms
hollow
electron diffraction
1993
47 Citations (Scopus)

Missing-row-type restructuring of the Cu(001) surface induced by Li adsorption: A low-energy electron diffraction analysis

Mizuno, S., Tochihara, H. & Kawamura, T., 1993, In : Surface Science Letters. 292, p. L811-L816

Research output: Contribution to journalArticle

1992
6 Citations (Scopus)

A simple treatment to design NBMO degenerate systems in alternant and non-alternant hydrocarbons

Aoki, Y. & Imamura, A., Nov 1 1992, In : Theoretica Chimica Acta. 84, 3, p. 155-180 26 p.

Research output: Contribution to journalArticle

Cyclic Hydrocarbons
Hydrocarbons
Carbon