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Kawazoe Laboratory Publications
(2001)
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Sakurada Ryoji, Maruyama Kyuichi, Kuroshima Ichiro, Takeuchi Hikaru, Yu Jing Zhi and Kawazoe Yoshiyuki
Studies on Recovery Technique of Cementitious Materials by Freeze-Drying Method
Proc. 26th Conf. Our World in Concrete & Structures, Singapore, (2001), 567-572
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Belosloudov Rodion Vladimirovich, Takami Seiichi, Kubo Momoji, Miyamoto Akira and Kawazoe Yoshiyuki
Density Functional Study on Adsorption of Small Molecules on Fe-Based Clusters
Proc. Int. Symp. Cluster Assembled Mater., IPAP Conf. Series, 3 (2001), 168-171
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Majumder Chiranjib, Kumar Vijay, Mizuseki Hiroshi and Kawazoe Yoshiyuki
Geometric and Electronic Structures of Neutral and Charged Tin Clusters (n=2-13)
Proc. Int. Symp. Cluster Assembled Mater., IPAP Conf. Series, 3 (2001), 154-157
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Mizuseki Hiroshi and Kawazoe Yoshiyuki
What Useful Properties Clusters Have! -Magic Behavior and Application to Magnetic Multi-Valued Recording
Proc. Int. Symp. Cluster Assembled Mater., IPAP Conf. Series, 3 (2001), 150-153
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Sun Qiang, Sakurai Masaki, Wang Qian, Sumiyama Kenji and Kawazoe Yoshiyuki
Structure and Magnetic Properties of Magic Fe Oxide Clusters
Proc. Int. Symp. Cluster Assembled Mater., IPAP Conf. Series, 3 (2001), 162-164
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Kumar Vijay and Kawazoe Yoshiyuki
Novel Endohedral Fullerene-like and Cubic Caged Clusters of Silicon: M@Si[16] and M@Si[14] (M=Transition Metal)
Proc. Int. Symp. Cluster Assembled Mater., IPAP Conf. Series, 3 (2001), 165-167
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Farajian Amir Abbas, Esfarjani Keivan, Mizuseki Hiroshi and Kawazoe Yoshiyuki
Transport Through Dimerized Ga and As Atomic Wires Deposited on Si(100) Substrate
Proc. Int. Symp. Cluster Assembled Mater., IPAP Conf. Series, 3 (2001), 172-174
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Jeong Goo Hwan, Hatakeyama Rikizo, Hirata Takamichi, Tohji Kazuyuki,Motomiya Kenichi, Sato Noriyoshi and Kawazoe Yoshiyuki
Structural Deformation of Single-Walled Carbon Nanotubes and Fullerene Encapsulation Due to Magnetized-Plasma Ion Irradiation
Appl. Phys. Lett., 79[25] (2001), 4213-4215
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Shiga Keiichiro, Ohno Kaoru, Ohtsuki Tsutomu and Kawazoe Yoshiyuki
Formation of N-doped C[60] Studied by Ab Initio Molecular Dynamics Simulations
Mater. Trans., 42[11] (2001), 2189-2193
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Guo Yong, Wang Bin, Gu Bin Lin and Kawazoe Yoshiyuki
Asymmetry and Separation of Spin Tunneling Time in ZnSe/Zn[1-x]Mn[x]Se Multilayers
Eur. Phys. J. B, 23 (2001), 509-513
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Kumar A.V. Anil, Yashonath Subramanian, Sluiter Marcel Henricus Franciscus and Kawazoe Yoshiyuki
Rotational Motion of Methane within the Confines of Zeolite NaCa Molecular Dynamics and Ab Initio Calculations
Phys. Rev. E., 65 (2001), 112031-112036
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Wang Hai Ping, Sluiter Marcel Henricus Franciscus and Kawazoe Yoshiyuki
Interfacial Segregation of Early Transition Metals in Nickel Aluminide
Mater. Trans., 42[3] (2001), 407-410
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Nishimatsu Takeshi, Terakubo Noriaki, Mizuseki Hiroshi, Kawazoe Yoshiyuki, Pawlak Dorota Anna, Shimamura Kiyoshi and Fukuda Tsuguo
Band Structures of Perovskite-Like Fluorides for Vacuum-Ultraviolet-Transparent Lens Materials
Jpn. J. Appl. Phys., 41 (2001), 365-367
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Guo Yong, Wang Bin, Gu Bing Lin and Kawazoe Yoshiyuki
Spin-Tunneling Time in a Hybrid Semimagnetic/Semiconductor Heterostructure with a Single Paramagnetic Layer
Phys. Lett. A, 291 (2001), 453-458
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Ishii Soh, Ohno Kaoru, Kawazoe Yoshiyuki and Louie Steven G.
Ab initio GW Quasiparticle Energies of Small Sodium Clusters by an All-Electron Mixed-Basis Approach
Phys. Rev. B. 63 [15] (2001), 155104-1-155104-6
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Aihara Tomoyasu, Kaneko Ryuta, Sluiter Marcel Henricus Franciscus and Kawazoe Yoshiyuki
Molecular Dynamics Simulation of Temperature Dependence of Dislocation Behavior in fcc Ni Single Crystal under Tensile Condition
Mater. Trans., 42[3] (2001), 425-428
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Ishii Soh, Ohno Kaoru and Kawazoe Yoshiyuki
Ab-Initio Quasiparticle Energies of Small Sodium Clusters by the GW Approximation
Scr. Mater., 44 (2001), 1963-1966
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Mizuseki Hiroshi, Hongo Kenta, Kawazoe Yoshiyuki and Will Luc Theo
Multiscale Simulation of Cluster Growth and Deposition Processes by Direct Simulation Monte Carlo Method
Scr. Mater., 44 (2001), 1911-1914
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Sun Qiang, Wang Qian, Yu Jing Zhi, Ohno Kaoru and Kawazoe Yoshiyuki
First-Principles Studies on Pure and Doped C[32] Clusters
J. Phys.: Condens. Matter, 13 (2001), 1931-1938
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Sun Qiang, Wang Qian, Yu Jing Zhi, Kumar Vijay and Kawazoe Yoshiyuki
Real-space Representation of Electron Localization and Shell Structure in Jelliumlike clusters
Phys. Rev. B, 63[19] (2001), 1934081-1934084
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Vannarat Sornthep, Sluiter Marcel Henricus Franciscus and Kawazoe Yoshiyuki
Strain Dependence of Solute Atom Energy in Aluminum-Rich Alloys
Mater. Trans., 42[3] (2001), 429-431
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Wang Qian, Sun Qiang, Yu Jing Zhi and Kawazoe Yoshiyuki
Nonmetal-Metal Transition in Ba[n] clusters
Solid State Commun., 117 (2001), 635-639
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Kumar Vijay and Kawazoe Yoshiyuki
Icosahedral Growth and Non-Metal-Metal Transition in Strontium Clusters
Scr. Mater., 44 (2001), 1949-1953
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Guo Yong, Gu Bing Lin, Wang Hao and Kawazoe Yoshiyuki
Spin-Resonant Suppression and enhancement in ZnSe/Zn[1-x]Mn[x]Se Multilayer Heterostructures
Phys. Rev. B., 63[21] (2001), 2144151-2144156
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Guo Yong, Lu Jun Qiang, Zeng Zhong, Wang Qian, Gu Bing Li and Kawazoe Yoshiyuki
Quantum Size Effect and Temperature Effect on Spin-Polarized Transport in ZnSe/Zn[1-x]Mn[x]Se Multilayers
Phys. Lett. A, 284 (2001), 205-215
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Kawazoe Yoshiyuki, Ohno Kaoru, Esfarjani Keivan, Maruyama Yutaka, Shiga Keiichirou and Farajian Amir Abbas
Why the All-Electron Full-Potential Approach is Suitable for Calculations on Fullerenes and Nanotubes?
J. Molecular Graphics and Modelling, 19 (2001), 270-273
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Ohtsuki Tsutomu, Ohno Kaoru, Shiga Keiichirou, Kawazoe Yoshiyuki, Maruyama Yutaka, Shikano Koji and Masumoto Kazoyoshi
Formation of New Materials in Fullerene by Using Nuclear Recoil:Antimony Case
Scr. Mater., 44 (2001), 1575-1578
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Yamamoto Aishi, Syouji Atsushi, Goto Takenari, Kulatov Erkin, Ohno Kaoru, Kawazoe Yoshiyuki, Uchida Kazuhito and Miura Noboru
Excitons and Band Structure of Highly Anisotropic GaTe Single Crystals
Phys. Rev. B, 64 (2001), 352101-352109
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Guo Yong, Gu Bing Lin, Wang Hao and Kawazoe Yoshiyuki
Spin-resonant Suppression and Enhancement in ZnSe/Zn[1-x]Mn[x]Se Multilayer Heterostructures
Phys. Rev. B, 63 (2001), 2144151-2144156
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Ohno Kaoru and Kawazoe Yoshiyuki
Abnormal Intermolecular Interaction Between Overlayer C[60] Molecules Due to Induced Dipole Moments In C[60] Thin Films Adsorbed on Substrates
Scr. Mater., 44 (2001), 1579-1582
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Nishimatsu Takeshi, Katayama-Yoshida Hiroshi and Orita Nozomi
Theoretical Study of Hydrogen-Related complexes in Diamond for Low-Resistive N-Type Diamond Semiconductor
Physica B, 302-303 (2001), 149-154
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Guo Yong, Lu Jun Qiang, Zeng Zhong, Wang Qian and Kawazoe Yoshiyuki
Quantum Size Effect and Temperature Effect on Spin-Polarized Transport in ZnSe/Zn[1-x]Mn[x]Se Multilayers
Phys. Lett. A, 284 (2001), 205-215
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Gong Xin Gao and Kumar Vijay
Metallic Coverings of Calcium on C[60]
Chem. Phys. Lett., 334 (2001), 238-244
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Sahara Ryoji, Mizuseki Hiroshi, Ohno Kaoru, Kubo Hiroshi and Kawazoe Yoshiyuki
Lattice Monte Carlo Simulation with a Renormalized Potential in Si
J. Cryst. Growth, 229 (2001), 610-614
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Kumar Vijay and Kawazoe Yoshiyuki
Metal-Encapsulated Fullerenelike and Cubic Caged Clusters of Silicon
Phys. Rev. Lett., 87[4] (2001), 455031-455034
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Guo Yong, Lu Jun Qiang, Gu Bing Lin and Kawazoe Yoshiyuki
Spin-Resonant Splitting in Magnetically Modulated Semimagnetic Semiconductor Superlattices
Phys. Rev. B, 64 (2001), 1553121-1553129
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Zeng Zhong, Mizuseki Hiroshi, Shimamura Kiyoshi, Fukuda Tsuguo, Higashino Kazuyuki and Kawazoe Yoshiyuki
Three-DimensionalOscillatory Thermocapillary Convection in Liquid Bridge under Microgravity
Int. J. Heat and Mass Transfer, 44 (2001), 3765-3774
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Zeng Zhong, Mizuseki Hiroshi, Shimamura Kiyoshi, Higashino Kazuyuki, Fukuda Tsuguo and Kawazoe Yoshiyuki
Marangoni Convection in Model of Floating Zone under Microgravity
J. Cryst. Growth, 229 (2001), 601-604
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Suzuki Takayuki, Hasegawa Yukio, Li Zhi Qiang Ohno Kaoru, Kawazoe Yoshiyuki and Sakurai Toshio
Electron Standing-Wave Observation in the Pd Overlayer on Au(111) and Cu(111) Surfaces by Scanning Tunneling Microscopy
Phys. Rev. B, 64 (2001), 814031-814034
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Wang Qian, Sun Qiang, Yu Jing Zhi, Sakurai Masaki and Kawazoe Yoshiyuki
Capacitance of Magic Ba[n] Clusters
Scr. Mater., 44 (2001), 1959-1962
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Kumar Vijay and Kawazoe Yoshiyuki
Hund's Rule in Metal Clusters: Prediction of High Magnetic Moment State of Al[12]Cu from First-principles Calculations
Phys. Rev. B, 64 (2001), 1154051-1154055
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Chui S.T., Wang Jian-Tao, Zhou Lei, Esfarjani Keivan and Kawazoe Yoshiyuki
Realization of an Effective Ultrahigh Magnetic Field on a Nanoscale
J. Phys.: Condens. Matter, 64 (2001), L49-L55
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Wang Jian Tao, Wang Ding Sheng and Kawazoe Yoshiyuki
Magnetic Phase Competing in MnAu Systems
Appl. Phys. Lett., 79[10] (2001), 1507-1509
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Berne Cecile, Sluiter Marcel Henricus Franciscus, Kawazoe Yoshiyuki and Pasturel Alain
Ordering Effects in the Re-W and Re-Ta Sigma Phases
J. Phys.: Condens. Matter, 13 (2001), 9433-9443
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Berne Cecile, Sluiter Marcel Henricus Franciscus, Kawazoe Yoshiyuki, Hansen Thomas and Pasturel Alain
Site Occupancy in the Re-W Sigma Phase
Phys. Rev. B, 64 (2001), 1441031-1441038
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Ohtsuki Tsutomu, Ohno Kaoru, Shiga Keiichirou, Kawazoe Yoshiyuki, Maruyama Yutaka, Shikano Koji and Masumoto Kazuyoshi
Formation of Sb- and Te-Doped Fullerenes by Using Nuclear Recoil and Molecular-Dynamics Simulations
Phys. Rev. B, 64 (2001), 1254021-1254025
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Yu Jing-Zhi, Sun Qiang and Kawazoe Yoshiyuki
Magnetic Phase Transition and Hydrogen Solubility in Fe, Co, and Ni
Journal of Phase Equilibria, 22[4] (2001), 504-507
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Taneda Akito, Simizu Toshio and Kawazoe Yoshiyuki
Stable Disordered Structures of Vanadium Clusters
J. Phys.: Condens. Matter, 13 (2001), L305-L312
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Bae Young Cho, Osanai Hiroki, Ohno Kaoru, Sluiter Marcel Henricus Franciscus and Kawazoe Yoshiyuki
All-Electron Mixed-Basis Calculation to Optimize Structure of Vanadium Clusters
Mater. Trans., JIM, 42[3] (2001), 432-434
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Kumar Vijay, Esfarjani Keivan and Kawazoe Yoshiyuki
Ab Initio Computer Simulations on Microclusters: Structures and Electronic Properties
Clusters and Nanomaterials, Springer, (2001), 9-88
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Belosludov Rodion Vladimrovich, Yoshinari Takehisa, Hiwada Tohru, Kawazoe Yoshiyuki, Ohno Kaoru and Nagasaka Shinichiro
Cluster Investigations in Cyclodextrin Inclusion Compounds: Theory and Experiment
Clusters and Nanomaterials, Springer, (2001), 109-131
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Onoe Jun, Nakayama Tomonobu, Nakano Aiko, Hashi Yuichi, Esfarjani Keivan, Ohno Kaoru, Kawazoe Yoshiyuki, Aono Masakazu and Takeuchi Kazuo
The Nanostructure of C[60] Photopolymers
Clusters and Nanomaterials, Springer, (2001), 135-169
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Esfarjani Keivan, Farajian Amir Abbas, Hashi Yuichi and Kawazoe Yoshiyuki
Electronic, Transport and Mechanical Properties of Carbon Nanotubes
Clusters and Nanomaterials, Springer, (2001), 187-220
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Sakurai Masaki, Sun Qiang, Sumiyama Kenji and Kawazoe Yoshiyuki
Magic Number Clusters in Transition Metal Oxide Clusters
Proc. Int. Symp. on Cluster Assembled Mater., IPAP Conf. Series, Nagoya, ed. by K. Sumiyama, (2001), 158-161
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Sun Qiang, Wang Qian, Yu Jing Zhi, Briere Tina Marie and Kawazoe Yoshiyuki
Structure and Interaction Mechanism in the Magic Al[13]]+[H[2]O Cluster
Phys. Rev. A, 64 (2001), 532031-532036
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Esfarjani Keivan, Farajian Amir Abbas, Farshad Ebrahimi and Kawazoe Yoshiyuki
Transport Properties of a Nanotube-Based Transistor
Eur. Phys. J. D, 16 (2001), 353-355
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Taghavimia Nima, Makino Hisao, Lerondel Gilles, Yamamoto Aishi, Yoshiyuki Kawazoe and Goto Takenari
Porous Silicon as a Template for Silicate Phosphor Synthesis
Proc. 21st Int. Display Reseatrch Conf. in conjunction with The 8th Int. Display Workshops , (2001), 1143-1146
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Taghavimia Nima, Lerondel Gilles, Makino Hisao, Yamamoto Aishi, Yao Takafumi, Kawazoe Yoshiyuki and Goto Takenari
Zn[2]SiO[4]:Mn]2+[ Nano-Particles Grown in Porous Silicon
Proc. 9th Int. Symp. Nanostructure: Physics and Technology, Russia, (2001), 436-438
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Esfarjani Keivan, Chen Zhen, Farajian Amir Abbas and Kawazoe Yoshiyuki
Spin Valve Effect in Magnetically Doped Nanotube-Based Transistors
Nanonetwork Materials, (2001), 253-256
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Ishii Takafumi, Esfarjani Keivan, Hashi Yuichi, Kawazoe Yoshiyuki and Iijima Sumio
Analysis of C[60] Insertion into Single Wall Carbon Nanotube by Molecular Dynamics Simulation
Nanonetwork Materials, (2001), 237-240
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Wang Jian Tao, Zhou Lei, Wang Ding Sheng and Kawazoe Yoshiyuki
Exchange Interaction and Magnetic Phase Transition in Layered Fe/Au Superlattices
J. Magn. Magn. Mater., 226-230 (2001), 633-634
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Katayama-Yoshida Hiroshi, Nishimatsu Takeshi, Yamamoto Tetsuya and Orita Nozomi
Codoping Method for the Fabrication of Low-Resistivity Wide Band-Gap Semiconductors in p-Type GaN, p-Type AlN and n-Type Diamond: Prediction Versus Experiment
J. Phys.: Condens. Matter, 13 (2001), 8901-8914
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Shiga Keiichiro, Ohno Kaoru and Kawazoe Yoshiyuki
Ab Initio Molecular Dynamics Simulation of Ni[6]
Trans. Mater. Res. Soc. Jpn., 26[4] (2001), 1113-1116
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Esfarjani Keivan, Chui Siu Tat, Kumar Vijay and Kawazoe Yoshiyuki
Phase Separation in Fermion Droplets
Trans. Mater. Res. Soc. Jpn., 26[4] (2001), 1101-1104
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Ishii Soh, Ohno Kaoru and Kawazoe Yoshiyuki
Absolute Value of Quasiparticle Energies of Li Clusters by an Ab-Initio GW Approximation
Trans. Mater. Res. Soc. Jpn., 26[4] (2001), 1129-1131
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Belosludov Rodion Vladimrovich, Takami Seiichi, Kubo Momoji, Miyamoto Akira and Kawazoe Yoshiyuki
Theoretical Study on Fe-Based Metal Clusters: Application in Heterogeneous Catalysis
Mater. Trans., 40[11] (2001), 2180-2183
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Wang Qian, Sun Qiang, Briere Tina Marie and Kawazoe Yoshiyuki
First-Principles Study of the Magic Ar[6]Fe]+[ Cluster
Mater. Trans., 42[11] (2001), 2172-2174
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Kawamura Hiroaki, Kumar Vijay, Sun Qiang and Kawazoe Yoshiyuki
Bonding Character of Hydrogen in Aluminum Clusters
Mater. Trans., 42[11] (2001), 2175-2179
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Ishii Soh, Ohno Kaoru and Kawazoe Yoshiyuki
Comparison Between the Full Frequency Intergration and the GPP Model in Ab-Initio GW Calculation of Na Clusters
Mater. Trans., 42[11] (2001), 2150-2152
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Majumder Chiranjib, Mizuseki Hiroshi and Kawazoe Yoshiyuki
Molecular Scale Rectifier: Theoretical Study
J. Phys. Chem. A, 105[41] (2001), 9454-9459
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Morisato Tsuguo, Ohno Kaoru, Kawazoe Yoshiyuki, Miura Takashi and Lee Sang Moo
First-Principles Study on High Speed Collisions between Neon Atom and Carbon Cluster
Trans. Mater. Res. Soc. Jpn., 26[4] (2001), 1125-1128
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Lu Jun Quiang, Chen Hao, Wu Jian, Mizuseki Hiroshi and Kawazoe Yoshiyuki
Ab-Initio Modeling of Real Molecular Logic Devices
Mater. Trans., 42[11] (2001), 2270-2275
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Jin Ying, Mizuseki Hiroshi and Kawazoe Yoshiyuki
Direct Simulation Monte Carlo for Cluster Growth Process in Rarefied Gas
Mater. Trans., 42[11] (2001), 2295-2298
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Vannarat Sornthep, Esfarjani Keivan, Chui Siu-Tat and Kawazoe Yoshiyuki
Effect of Elastic Interaction on Self-Assembled Island Spatial Arrangement
Mater. Trans., 42[11] (2001), 2279-2282
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Zeng Zhong, Mizuseki Hiroshi, Higashino Kazuyuki, Shimamura Kiyoshi,Fukuda Tsuguo and Kawazoe Yoshiyuki
Structure Similarity of Mixed Buoyancy-Thermocapillary Flow in Half-Zone Liquid Bridge
Mater. Trans., 42[11] (2001), 2322-2331
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Vannarat Sornthep, Sluiter Marcel Henricus Franciscus and Kawazoe Yoshiyuki
First-Principles Study of Solute-Dislocation Interaction in Aluminum-Rich Alloys
Phys. Rev. B, 64[22] (2001), 2242031-2242038
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Sluiter Marcel Henricus Franciscus and Kawazoe Yoshiyuki
Bondlengths and Phase Stability of Silicon-Germanium Alloys under Pressure
Mater. Trans., 42[11] (2001), 2201-2205
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Majumder Chiranjib, Kumar Vijay, Mizuseki Hiroshi and Kawazoe Yoshiyuki
Small Clusters of Tin: Atomic Structures, Energetics, and Fragmentation Behavior
Phys. Rev. B, 64[23] (2001), 2334051-2334054
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Belosludov Vladimir Romanovich, Inerbaev Talgat Muratovich, Luzhkovskaya Dmifrievna Natalya and Kawazoe Yoshiyuki
Elastic Moduli and Absolute Stability Limits of Clathrate Hydrates of Structure I at Positive and Negative Pressures
Mater. Trans., 42[11] (2001), 2194-2200
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Majumder Chiranjib, Kumar Vijay, Mizuseki Hiroshi and Kawazoe Yoshiyuki
Ab-Initio Molecular Dynamics Study of Isomers of Tin Clusters
Trans. Mater. Res. Soc. Jpn., 26[4] (2001), 1105-1108
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Sluiter Marcel Henricus Franciscus, Kumar Vijay and Kawazoe Yoshiyuki
Effect of Hydrostatic Pressure on Single Wall Carbon Nanotube Bundles
Trans. Mater. Res. Soc. Jpn., 26[4] (2001), 1151-1153
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Ishii Takafumi, Esfarjani Keivan, Hashi Yuichi, Kawazoe Yoshiyuki and Iijima Sumio
Analysis of C[60] Insertion into Single Wall Carbon Nanotube by Molecular Dynamics Simulation
Trans. Mater. Res. Soc. Jpn., 26[4] (2001), 1163-1165
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Mizuseki Hiroshi, Jin Ying, Kawazoe Yoshiyuki and Wille Luc Theo
Cluster Growth Processes by Direct Simulation Monte Carlo Method
Appl. Phys. A, 73 (2001), 731-735
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Zhou Gang and Kawazoe Yoshiyuki
Application of Single-Walled Carbon Nanotube Body to dUnique Emitter: a First-Principles Study
Chem. Phys. Lett., 350 (2001), 386-392
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Ohtsuki Tsutomu, Ohno Kaoru, Shiga Keiichiro and Kawazoe Yoshiyuki
Incorporation of Sb Atom and Fullerene by Using Nuclear Recoil and Their MD Simulation
Trans. Mater. Res. Soc. Jpn., 26[4] (2001), 1159-1162
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Kawazoe Yoshiyuki
How Well can Physical, Chemical, and Mechanical Properties of Materials be Predicted by Ab Initio Techniques?
Mater. Des., 22 (2001), 61-67
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Parlinski Krzystof, Kawazoe Yoshiyuki and Waseda Yoshio
Ab Initio Studies of Phonons in CaTiO[3]
J. Chem. Phys., 114[5] (2001), 2395-2400
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Kumar Vijay and Kawazoe Yoshiyuki
Evolution of Electronic States and Abnormal Multishell Relaxations in Strontium Clusters
Phys. Rev. B, 63 (2001), 754101-754109
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Yoshihara Akira, Wang Jian Tao, Takanashi Koki, Himi Kiyokazu, Kawazoe Yoshiyuki, Fujimori Hiroyasu and Gruenberg Peter
Interlayer Exchange Coupling in Fine-layered Fe/Au Superlattices
Phys. Rev. B, 63[10] (2001), R100405-R100408