Research Output 1989 2019

  • 75 Article
  • 4 Conference contribution
  • 1 Short survey
  • 1 Review article
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

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
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
16 Citations (Scopus)
Polyenes
Excited states
Stretching
Fluorescence
Wave functions
4 Citations (Scopus)
Nitrous Acid
nitrous acid
vibrational states
Isomers
continuous radiation
27 Citations (Scopus)

A desorption mechanism of water following vacuum-ultraviolet irradiation on amorphous solid water at 90 K

Hama, T., Yokoyama, M., Yabushita, A., Kawasaki, M., Andersson, S., Western, C. M., Ashfold, M. N. R., Dixon, R. N. & Watanabe, N., Apr 28 2010, In : Journal of Chemical Physics. 132, 16, 164508.

Research output: Contribution to journalArticle

Desorption
desorption
Irradiation
Vacuum
vacuum
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)

A molecular orbital study on the electron donating and accepting abilities of non-alternant polycyclic conjugated hydrocarbons

Aoki, Y., Imamura, A. & Murata, I., Jan 1 1990, In : Tetrahedron. 46, 19, p. 6659-6672 14 p.

Research output: Contribution to journalArticle

Cyclic Hydrocarbons
Molecular orbitals
Hydrocarbons
Electronic properties
Electron energy levels
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
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
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
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
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
3 Citations (Scopus)

Buffer-gas pressure broadening for the 2ν 3 band of methane measured with continuous-wave cavity ring-down spectroscopy

Yamano, D., Sakamoto, Y., Yabushita, A., Kawasaki, M., Morino, I. & Inoue, G., Oct 1 2009, In : Applied Physics B: Lasers and Optics. 97, 2, p. 523-528 6 p.

Research output: Contribution to journalArticle

pressure broadening
gas pressure
continuous radiation
methane
buffers
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)

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

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
29 Citations (Scopus)
Quantum communication
Magnetic couplings
quantum communication
Wave functions
electron spin
42 Citations (Scopus)
Low energy electron diffraction
electron diffraction
Atoms
Adatoms
Surface structure
37 Citations (Scopus)

Complex surface alloy formed by Li deposition on Cu(001) determined by dynamical low-energy electron diffraction

Mizuno, S., Tochihara, H., Barbieri, A. & Van Hove, M. A., Jan 1 1995, In : Physical Review B. 51, 3, p. 1969-1972 4 p.

Research output: Contribution to journalArticle

Low energy electron diffraction
electron diffraction
pyramids
Atoms
Alkali Metals
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
21 Citations (Scopus)

Desorption of hydroxyl radicals in the vacuum ultraviolet photolysis of amorphous solid water at 90 K

Hama, T., Yabushita, A., Yokoyama, M., Kawasaki, M. & Andersson, S., Aug 21 2009, In : Journal of Chemical Physics. 131, 5, 054508.

Research output: Contribution to journalArticle

Photolysis
hydroxyl radicals
Hydroxyl Radical
photolysis
Desorption
49 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
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
73 Citations (Scopus)

Electronic structure of poly(tetrafluoroethylene) studied by UPS, VUV absorption, and band calculations

Seki, K., Tanaka, H., Ohta, T., Aoki, Y., Imamura, A., Fujimoto, H., Yamamoto, H., Inokuchi, H., Tanaka, H., Aoki, Y. & Yamamoto, H., Jan 1 1990, In : Physica Scripta. 41, 1, p. 167-171 5 p.

Research output: Contribution to journalArticle

polytetrafluoroethylene
Electronic Structure
Absorption
electronic structure
valence

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., 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
Polypropylene
Borates
Polypropylenes
Structural Change
Polymerization
Polyenes
Mirrors
mirrors
orbitals
Electron energy levels
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
1 Citation (Scopus)

Gas desorption analysis on the surface of zno(Oool) after hydrogen ion irradiation

Jiang, H., Yoneyama, K. I., Minagawa, H., Mizuno, S., Kadowaki, T., Matsudaira, K., Tochihara, H., Hayakawa, K. & Watanabe, M., Jan 1 1993, In : Japanese Journal of Applied Physics. 32, 6 A, p. L806-L808

Research output: Contribution to journalArticle

hydrogen ions
Ion bombardment
ion irradiation
Desorption
desorption
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
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
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
33 Citations (Scopus)

Hydrogen atom formation from the photodissociation of water ice at 193 nm

Yabushita, A., Hashikawa, Y., Ikeda, A., Kawasaki, M. & Tachikawa, H., Mar 15 2004, In : Journal of Chemical Physics. 120, 11, p. 5463-5468 6 p.

Research output: Contribution to journalArticle

Photodissociation
Ice
photodissociation
Hydrogen
hydrogen atoms
6 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

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
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
6 Citations (Scopus)

Measurements of ammonium and sodium salt aerosol particles using a laser-ionization single-particle aerosol mass spectrometer

Narukawa, M., Matsumi, Y., Takahashi, K. & Yabushita, A., Jul 5 2007, In : Chemistry Letters. 36, 7, p. 904-905 2 p.

Research output: Contribution to journalArticle

Mass spectrometers
Aerosols
Ammonium Compounds
Ionization
Salts
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

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
1 Citation (Scopus)

Multiphoton ionization detection of aromatic hydrocarbons at 157.6 nm

Kanno, N., Yabushita, A., Kawasaki, M. & Tonokura, K., Feb 5 2007, In : Chemistry Letters. 36, 2, p. 290-291 2 p.

Research output: Contribution to journalArticle

Aromatic Hydrocarbons
Ionization
Ions
Photoionization
Toluene
2 Citations (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., Mar 27 2003, In : Polymer Journal. 35, 1, p. 50-55 6 p.

Research output: Contribution to journalArticle

Indican
Polyelectrolytes
Charge transfer
Ions
Polymers
58 Citations (Scopus)

Observation of anomalous LEED patterns from Li adsorbed Cu(001): 2 × 1, 3 × 3 and 4 × 4

Tochihara, H. & Mizuno, S., Dec 1 1992, In : Surface Science. 279, 1-2, p. 89-98 10 p.

Research output: Contribution to journalArticle

Low energy electron diffraction
Diffraction patterns
diffraction patterns
electron diffraction
Model structures
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
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

5 Citations (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., May 22 2004, In : Journal of Chemical Physics. 120, 20, p. 9446-9449 4 p.

Research output: Contribution to journalArticle

optimal control
Excited states
Pulse shaping
Cesium
Lasers

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