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Results: 1-16 |
Results: 16
Potential energy surface and dynamics of Pd/MgO(001) system as investigated by periodic density functional calculations and classical molecular dynamics simulations
Authors: Endou, A Teraishi, K Yajima, K Yoshizawa, K Ohashi, N Takami, S Kubo, M Miyamoto, A Broclawik, E
Citation: A. Endou et al., Potential energy surface and dynamics of Pd/MgO(001) system as investigated by periodic density functional calculations and classical molecular dynamics simulations, JPN J A P 1, 39(7B), 2000, pp. 4255-4260
Tight-binding molecular dynamics study of hydrogen molecule inside siliconcrystal
Authors: Takaba, H Endou, A Yamada, A Kubo, M Teraishi, K Nakamura, KG Ishioka, K Kitajima, M Miyamoto, A
Citation: H. Takaba et al., Tight-binding molecular dynamics study of hydrogen molecule inside siliconcrystal, JPN J A P 1, 39(5A), 2000, pp. 2744-2747
Periodic density-functional study on oxidation of diamond (100) surfaces
Authors: Tamura, H Zhou, H Sugisako, K Yokoi, Y Takami, S Kubo, M Teraishi, K Miyamoto, A Imamura, A Gamo, MN Ando, T
Citation: H. Tamura et al., Periodic density-functional study on oxidation of diamond (100) surfaces, PHYS REV B, 61(16), 2000, pp. 11025-11033
Development of dual ensemble Monte Carlo program and its application to the CO2/N-2 separation
Authors: Kobayashi, Y Mizukami, K Oumi, Y Takaba, H Kubo, M Teraishi, K Miyamoto, A
Citation: Y. Kobayashi et al., Development of dual ensemble Monte Carlo program and its application to the CO2/N-2 separation, MOL SIMULAT, 25(3-4), 2000, pp. 187-196
Surface stress in thin oxide layer made by plasma oxidation with applying positive bias
Authors: Itakura, AN Narushima, T Kitajima, M Teraishi, K Yamada, A Miyamoto, A
Citation: An. Itakura et al., Surface stress in thin oxide layer made by plasma oxidation with applying positive bias, APPL SURF S, 159, 2000, pp. 62-66
Chemical interaction of NF3 with Si (Part II): Density functional calculation studies
Authors: Endou, A Little, TW Yamada, A Teraishi, K Kubo, M Ammal, SSC Miyamoto, A Kitajima, M Ohuchi, FS
Citation: A. Endou et al., Chemical interaction of NF3 with Si (Part II): Density functional calculation studies, SURF SCI, 445(2-3), 2000, pp. 243-248
Tight-binding molecular dynamics simulation of desorbed SiO molecule during the oxidation of Si(111) surface
Authors: Yamada, A Endou, A Takaba, H Teraishi, K Ammal, SSC Kubo, M Nakamura, KG Kitajima, M Miyamoto, A
Citation: A. Yamada et al., Tight-binding molecular dynamics simulation of desorbed SiO molecule during the oxidation of Si(111) surface, JPN J A P 1, 38(4B), 1999, pp. 2434-2437
Computational studies on GaN surface polarity and InN/GaN heterostructuresby density functional theory and molecular dynamics
Authors: Onozu, T Gunji, I Miura, R Ammal, SSC Kubo, M Teraishi, K Miyamoto, A Iyechika, Y Maeda, T
Citation: T. Onozu et al., Computational studies on GaN surface polarity and InN/GaN heterostructuresby density functional theory and molecular dynamics, JPN J A P 1, 38(4B), 1999, pp. 2544-2548
Periodic boundary quantum chemical study on ZnO ultra-violet laser emitting materials
Authors: Oumi, Y Takaba, H Ammal, SSC Kubo, M Teraishi, K Miyamoto, A Kawasaki, M Yoshimoto, M Koinuma, H
Citation: Y. Oumi et al., Periodic boundary quantum chemical study on ZnO ultra-violet laser emitting materials, JPN J A P 1, 38(4B), 1999, pp. 2603-2605
Reactivity of lattice oxygens present in V2O5(010): A periodic first-principles investigation
Authors: Yin, XL Han, HM Endou, A Kubo, M Teraishi, K Chatterjee, A Miyamoto, A
Citation: Xl. Yin et al., Reactivity of lattice oxygens present in V2O5(010): A periodic first-principles investigation, J PHYS CH B, 103(8), 1999, pp. 1263-1269
Adsorption of H2O on the V2O5(010) surface studied by periodic density functional calculations
Authors: Yin, XL Fahmi, A Han, HM Endou, A Ammal, SSC Kubo, M Teraishi, K Miyamoto, A
Citation: Xl. Yin et al., Adsorption of H2O on the V2O5(010) surface studied by periodic density functional calculations, J PHYS CH B, 103(16), 1999, pp. 3218-3224
Molecular dynamics study on vanadium pentoxide
Authors: Yin, XL Endou, A Miura, R Fahmi, A Gunji, I Yamauchi, R Kubo, M Teraishi, K Miyamoto, A
Citation: Xl. Yin et al., Molecular dynamics study on vanadium pentoxide, COMP MAT SC, 14(1-4), 1999, pp. 114-118
Molecular dynamics simulation of friction of hydrocarbon thin films
Authors: Tamura, H Yoshida, M Kusakabe, K Young-Mo, C Miura, R Kubo, M Teraishi, K Chatterjee, A Miyamoto, A
Citation: H. Tamura et al., Molecular dynamics simulation of friction of hydrocarbon thin films, LANGMUIR, 15(22), 1999, pp. 7816-7821
Use of umbrella sampling in the calculation of the potential of the mean force for silicon surface oxidation
Authors: Teraishi, K Endou, A Gunji, I Kubo, M Miyamoto, A Kitajima, M
Citation: K. Teraishi et al., Use of umbrella sampling in the calculation of the potential of the mean force for silicon surface oxidation, SURF SCI, 426(3), 1999, pp. 290-297
Density functional theory calculations of molecular nitrogen on a ruthenium cluster
Authors: Shrivastava, KN Ammal, SSC Tsuruya, H Takami, S Endou, A Kubo, M Teraishi, K Miyamoto, A Ozaki, A
Citation: Kn. Shrivastava et al., Density functional theory calculations of molecular nitrogen on a ruthenium cluster, CHEM P LETT, 313(1-2), 1999, pp. 279-282
Application of integrated computer simulation approach to solid surfaces and interfaces
Authors: Chatterjee, A Kubo, M Teraishi, K Takaba, H Oumi, Y Miyamoto, A
Citation: A. Chatterjee et al., Application of integrated computer simulation approach to solid surfaces and interfaces, CATAL SURV, 2(2), 1998, pp. 133-153
Risultati: 1-16 |