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1. Particle-scale modeling of the drying characteristics of colloidal suspensions

Author

Tatsumi, Rei, Koike, Osamu, Yamaguchi, Yukio, and Tsuji, Yoshiko

Subjects
Condensed Matter - Soft Condensed Matter
Abstract

During drying of colloidal suspensions, colloidal particles can form concentrated particle layers beneath the receding free surface. The drying rate can gradually decrease with the growth of the particle layers. We construct a model to investigate how such drying characteristics is affected by interactions between particles. In this model, the formation of the particle layers is described by Langevin dynamics simulations, and the drying rate is evaluated from the permeation resistance of the particle layers. We show that the decrease in the drying rate is suppressed when the particles form aggregates by attractive interactions. The present model would enable us to predict and control the drying characteristics through the character of colloidal particles., Comment: 10 pages, 13 figures

Published
2022
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2. Validation of Web-Based Physical Activity Measurement Systems Using Doubly Labeled Water

Author

Namba, Hideyuki, Yamaguchi, Yukio, Yamada, Yosuke, Tokushima, Satoru, Hatamoto, Yoichi, Sagayama, Hiroyuki, Kimura, Misaka, Higaki, Yasuki, and Tanaka, Hiroaki

Subjects
Computer applications to medicine. Medical informatics, R858-859.7, Public aspects of medicine, RA1-1270
Abstract

BackgroundOnline or Web-based measurement systems have been proposed as convenient methods for collecting physical activity data. We developed two Web-based physical activity systems—the 24-hour Physical Activity Record Web (24hPAR WEB) and 7 days Recall Web (7daysRecall WEB). ObjectiveTo examine the validity of two Web-based physical activity measurement systems using the doubly labeled water (DLW) method. MethodsWe assessed the validity of the 24hPAR WEB and 7daysRecall WEB in 20 individuals, aged 25 to 61 years. The order of email distribution and subsequent completion of the two Web-based measurements systems was randomized. Each measurement tool was used for a week. The participants’ activity energy expenditure (AEE) and total energy expenditure (TEE) were assessed over each week using the DLW method and compared with the respective energy expenditures estimated using the Web-based systems. ResultsThe mean AEE was 3.90 (SD 1.43) MJ estimated using the 24hPAR WEB and 3.67 (SD 1.48) MJ measured by the DLW method. The Pearson correlation for AEE between the two methods was r = .679 (P < .001). The Bland-Altman 95% limits of agreement ranged from –2.10 to 2.57 MJ between the two methods. The Pearson correlation for TEE between the two methods was r = .874 (P < .001). The mean AEE was 4.29 (SD 1.94) MJ using the 7daysRecall WEB and 3.80 (SD 1.36) MJ by the DLW method. The Pearson correlation for AEE between the two methods was r = .144 (P = .54). The Bland-Altman 95% limits of agreement ranged from –3.83 to 4.81 MJ between the two methods. The Pearson correlation for TEE between the two methods was r = .590 (P = .006). The average input times using terminal devices were 8 minutes and 10 seconds for the 24hPAR WEB and 6 minutes and 38 seconds for the 7daysRecall WEB. ConclusionsBoth Web-based systems were found to be effective methods for collecting physical activity data and are appropriate for use in epidemiological studies. Because the measurement accuracy of the 24hPAR WEB was moderate to high, it could be suitable for evaluating the effect of interventions on individuals as well as for examining physical activity behavior.

Published
2012
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4. Mesoscale modeling of colloidal suspensions with adsorbing solutes

Author

Tatsumi, Rei, Koike, Osamu, and Yamaguchi, Yukio

Subjects
Condensed Matter - Soft Condensed Matter
Abstract

We construct a mesoscale model of colloidal suspensions that contain solutes reversibly adsorbing onto the colloidal particle surfaces. The present model describes the coupled dynamics of the colloidal particles, the host fluid, and the solutes through the Newton-Euler equations of motion, the hydrodynamic equations, and the advection-diffusion equation, respectively. The solute adsorption is modeled through a square-well potential, which represents a short-range attractive interaction between a particle and a solute molecule. The present model is formulated to be solved through direct numerical simulations. Some numerical results are presented to validate the simulations. The present model enables investigations of solute adsorption effects in the presence of a fluid flow and an inhomogeneous solute concentration distribution., Comment: 9 pages, 7 figures

Published
2014
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5. Growth window and possible mechanism of millimeter-thick single-walled carbon nanotube forests

Author

Hasegawa, Kei, Noda, Suguru, Sugime, Hisashi, Kakehi, Kazunori, Maruyama, Shigeo, and Yamaguchi, Yukio

Subjects
Condensed Matter - Materials Science
Abstract

Our group recently reproduced the water-assisted growth method, so-called "super growth", of millimeter-thick single-walled carbon nanotube (SWNT) forests by using C2H4/ H2/ H2O/ Ar reactant gas and Fe/ Al2O3 catalyst. In this current work, a parametric study was carried out on both reaction and catalyst conditions. Results revealed that a thin Fe catalyst layer (about 0.5 nm) yielded rapid growth of SWNTs only when supported on Al2O3, and that Al2O3 support enhanced the activity of Fe, Co, and Ni catalysts. The growth window for the rapid SWNT growth was narrow, however. Optimum amount of added H2O increased the SWNT growth rate but further addition of H2O degraded both the SWNT growth rate and quality. Addition of H2 was also essential for rapid SWNT growth, but again, further addition decreased both the SWNT growth rate and quality. Because Al2O3 catalyzes hydrocarbon reforming, Al2O3 support possibly enhances the SWNT growth rate by supplying the carbon source to the catalyst nanoparticles. The origin of the narrow window for rapid SWNT growth will also be discussed., Comment: 6 pages, 6 figures. Submitted to J. Nanosci. Nanotech

Published
2007

9. List of Contributors

Author

Abe, Hiroya, primary, Adschiri, Tadafumi, additional, Aida, Tsutomu, additional, Akatsu, Takashi, additional, Akedo, Jun, additional, Ando, Masanori, additional, Ando, Yoshinori, additional, Anzai, Hiroyuki, additional, Aoki, Nobuaki, additional, Awano, Masanobu, additional, Azushima, Akira, additional, Baba, Tetsuya, additional, Chen, Weiwu, additional, Ehara, Kensei, additional, Emi, Hitoshi, additional, Fudouzi, Hiroshi, additional, Fuji, Masayoshi, additional, Fujii, Hidetoshi, additional, Fukui, Hiroshi, additional, Fukui, Takehisa, additional, Fukumori, Yoshinobu, additional, Goda, Hideki, additional, Gotoh, Kuniaki, additional, Hakuta, Yukiya, additional, Hara, Kaori, additional, Hayashi, Akitoshi, additional, Hayashi, Kazuyuki, additional, Higashitani, Ko, additional, Hirao, Kazuyuki, additional, Hojo, Daisuke, additional, Hosokawa, Kouhei, additional, Hosokawa, Masuo, additional, Hotta, Yuji, additional, Ichikawa, Hideki, additional, Ida, Takashi, additional, Ihara, Manabu, additional, Iijima, Motoyuki, additional, Imai, Yusuke, additional, Inagaki, Shinji, additional, Inoue, Mitsuteru, additional, Iritani, Eiji, additional, Iriyama, Yasutoshi, additional, Ishida, Naoyuki, additional, Ishii, Toshihiro, additional, Isu, Norifumi, additional, Iwata, Mikimasa, additional, Jinnai, Hiroshi, additional, Jiu, Jinting, additional, Kaga, Norihiko, additional, Kajikawa, Kotaro, additional, Kakui, Toshio, additional, Kamiya, Hidehiro, additional, Kaneko, Kenji, additional, Kanie, Kiyoshi, additional, Kano, Junya, additional, Kasai, Hitoshi, additional, Kasuga, Tomoko, additional, Katamoto, Tsutomu, additional, Katsura, Shinji, additional, Kawahara, Masayoshi, additional, Kawashima, Yoshiaki, additional, Kinemuchi, Yoshiaki, additional, Kirihara, Soshu, additional, Koshimizu, Masanori, additional, Kondo, Akihiko, additional, Kondo, Akira, additional, Kondou, Katsuyoshi, additional, Kozawa, Takahiro, additional, Kurihara, Kazue, additional, Kuroda, Shun'ichi, additional, Kurumada, Ken-ichi, additional, Kuwahara, Hiroaki, additional, Li, Chunliang, additional, Makino, Hisao, additional, Maruo, Shoji, additional, Masuda, Hiroaki, additional, Masuda, Yoshitake, additional, Matsuda, Motohide, additional, Matsusaka, Shuji, additional, Matsuyama, Tatsushi, additional, Mezaki, Reiji, additional, Mikayama, Takeshi, additional, Miyahara, Minoru, additional, Miyajima, Kiyotomi, additional, Miyamoto, Yoshinari, additional, Miyayama, Masaru, additional, Miyazaki, Hideki T., additional, Mori, Hidetoshi, additional, Morimoto, Tsutomu, additional, Morita, Kenta, additional, Munakata, Hirokazu, additional, Muto, Hiroyuki, additional, Munir, Muhammad M., additional, Muramatsu, Atsushi, additional, Murase, Norio, additional, Myojo, Toshihiko, additional, Naito, Makio, additional, Nakajima, Noriyuki, additional, Nakamoto, Masami, additional, Nakamura, Masaharu, additional, Nakamura, Keitaro, additional, Nakanishi, Hachiro, additional, Namiki, Norikazu, additional, Nishimura, Yuya, additional, Noda, Naoki, additional, Nogi, Kiyoshi, additional, Noguchi, Yuji, additional, Noma, Junichi, additional, Nomura, Toshiyuki, additional, Ogi, Takashi, additional, Ogino, Chiaki, additional, Ohara, Satoshi, additional, Ohtomo, Akira, additional, Oikawa, Hidetoshi, additional, Okamoto, Tomoichiro, additional, Okubo, Tatsuya, additional, Okuyama, Kikuo, additional, Osada, Minoru, additional, Otani, Yoshio, additional, Otsubo, Yasufumi, additional, Otsuki, Masashi, additional, Saito, Fumio, additional, Sakaguchi, Shuji, additional, Sakka, Yoshio, additional, Sasabe, Shuji, additional, Sasai, Aiko, additional, Sasaki, Takayoshi, additional, Sasaki, Takafumi, additional, Satoh, Norifusa, additional, Senda, Tetsuya, additional, Seong, Gimyeong, additional, Setsuhara, Yuichi, additional, Shikano, Haruhide, additional, Shimada, Manabu, additional, Suda, Akihiko, additional, Suganuma, Katsuaki, additional, Suzuki, Hisao, additional, Suzuki, Michitaka, additional, Suzuki, Takahiro, additional, Takada, Takahiro, additional, Takahashi, Chisato, additional, Takai, Chika, additional, Takami, Seiichi, additional, Takase, Hirofumi, additional, Takebayashi, Kenji, additional, Takeuchi, Hirofumi, additional, Tatami, Junichi, additional, Tatsumisago, Masahiro, additional, Toda, Kenji, additional, Togashi, Takanari, additional, Tojo, Tetsuro, additional, Tomai, Takaaki, additional, Tsujimoto, Hiroyuki, additional, Tsukada, Takao, additional, Tsukada, Yusuke, additional, Uchikoshi, Tetsuo, additional, Uematsu, Keizo, additional, Ueshima, Minoru, additional, Umetsu, Mitsuo, additional, Usuki, Arimitsu, additional, Wakai, Fumihiro, additional, Wei, Xing, additional, Yamaguchi, Akimasa, additional, Yamaguchi, Yukio, additional, Yamamoto, Hiromitsu, additional, Yamamoto, Kenji, additional, Yamamoto, Kimihisa, additional, Yamamoto, Atsushi, additional, Yashima, Masatomo, additional, Yoko, Akira, additional, Yokoi, Atsushi, additional, Yokoyama, Toyokazu, additional, Yonezawa, Susumu, additional, Yonezawa, Tetsu, additional, and Zhang, Qiwu, additional

Published
2018
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12. Classification of drying segregation states by a generalized diffusion model.

Author

Tatsumi, Rei, Koike, Osamu, Yamaguchi, Yukio, and Tsuji, Yoshiko

Subjects
FICK'S laws of diffusion, DRYING, DIFFUSION, BINARY mixtures, DIFFUSION coefficients
Abstract

During drying of binary colloidal mixtures, one colloidal particle component can segregate to the top surface. We investigate conditions where the segregation occurs through the analysis of a linearized diffusion model with Fick's law generalized for binary colloidal mixtures. The present model is the simplest representation that includes cross-diffusion between different particle components to describe the segregation. Using the analytical solutions of this model, we classify states in terms of which the particle component segregates for the following variables: the mixture ratio of particle components, diffusion coefficients, and drying rates. The obtained state diagrams suggest how to control the segregation by designing material and operation conditions. [ABSTRACT FROM AUTHOR]

Published
2020
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31. List of Contributors

Author

Abe, Hiroya, primary, Adschiri, Tadafumi, additional, Akatsu, Takashi, additional, Akedo, Jun, additional, Ando, Masanori, additional, Ando, Yoshinori, additional, Anzai, Hiroyuki, additional, Awano, Masanobu, additional, Azushima, Akira, additional, Baba, Tetsuya, additional, Chen, Weiwu, additional, Ehara, Kensei, additional, Emi, Hitoshi, additional, Fudouzi, Hiroshi, additional, Fuji, Masayoshi, additional, Fujii, Hidetoshi, additional, Fukui, Hiroshi, additional, Fukui, Takehisa, additional, Fukumori, Yoshinobu, additional, Goda, Hideki, additional, Gotoh, Kuniaki, additional, Hakuta, Yukiya, additional, Hara, Kaori, additional, Hayashi, Kazuyuki, additional, Higashitani, Ko, additional, Hirao, Kazuyuki, additional, Hosokawa, Masuo, additional, Hotta, Yuji, additional, Ichikawa, Hideki, additional, Ida, Takashi, additional, Ihara, Manabu, additional, Inagaki, Shinji, additional, Inoue, Mitsuteru, additional, Iritani, Eiji, additional, Ishida, Naoyuki, additional, Isu, Norifumi, additional, Iwata, Mikimasa, additional, Jinnai, Hiroshi, additional, Kaga, Norihiko, additional, Kajikawa, Kotaro, additional, Kakui, Toshio, additional, Kamiya, Hidehiro, additional, Kaneko, Kenji, additional, Kanie, Kiyoshi, additional, Kano, Junya, additional, Kasai, Hitoshi, additional, Kasuga, Tomoko, additional, Katamoto, Tsutomu, additional, Katsura, Shinji, additional, Kawahara, Masayoshi, additional, Kawashima, Yoshiaki, additional, Kinemuchi, Yoshiaki, additional, Kirihara, Soshu, additional, Kondo, Akira, additional, Kondoh, Akihiko, additional, Kondou, Katsuyoshi, additional, Kousaka, Yasuo, additional, Kurihara, Kazue, additional, Kuroda, Shun’ichi, additional, Kurumada, Ken-ichi, additional, Kuwahara, Hiroaki, additional, Li, Chunliang, additional, Makino, Hisao, additional, Masuda, Hiroaki, additional, Masuda, Yoshitake, additional, Matsuda, Motohide, additional, Matsusaka, Shuji, additional, Matsuyama, Tatsushi, additional, Mezaki, Reiji, additional, Mikayama, Takeshi, additional, Miyahara, Minoru, additional, Miyajima, Kiyotomi, additional, Miyamoto, Yoshinari, additional, Miyayama, Masaru, additional, Miyazaki, Hideki T., additional, Mori, Hidetoshi, additional, Morimoto, Tsutomu, additional, Munakata, Hirokazu, additional, Miftahul Munir, Muhammad, additional, Muramatsu, Atsushi, additional, Murase, Norio, additional, Myojo, Toshihiko, additional, Naito, Makio, additional, Nakajima, Noriyuki, additional, Nakamoto, Masami, additional, Nakamura, Masaharu, additional, Nakamura, Keitaro, additional, Nakanishi, Hachiro, additional, Namiki, Norikazu, additional, Noda, Naoki, additional, Nogi, Kiyoshi, additional, Noguchi, Yuji, additional, Nomura, Toshiyuki, additional, Ogi, Takashi, additional, Ohara, Satoshi, additional, Ohtomo, Akira, additional, Oikawa, Hidetoshi, additional, Okamoto, Tomoichiro, additional, Okubo, Tatsuya, additional, Okuyama, Kikuo, additional, Osada, Minoru, additional, Otani, Yoshio, additional, Otsubo, Yasufumi, additional, Otsuki, Masashi, additional, Saito, Fumio, additional, Sakaguchi, Shuji, additional, Sakka, Yoshio, additional, Sasabe, Shuji, additional, Sasaki, Takayoshi, additional, Sasaki, Takafumi, additional, Satoh, Norifusa, additional, Senda, Tetsuya, additional, Setsuhara, Yuichi, additional, Shikano, Haruhide, additional, Shimada, Manabu, additional, Suda, Akihiko, additional, Suzuki, Hisao, additional, Suzuki, Michitaka, additional, Takada, Takahiro, additional, Takai, Chika, additional, Takami, Seiichi, additional, Takase, Hirofumi, additional, Takebayashi, Kenji, additional, Takeuchi, Hirofumi, additional, Tatami, Junichi, additional, Toda, Kenji, additional, Tojo, Tetsuro, additional, Tsujimoto, Hiroyuki, additional, Uchikoshi, Tetsuo, additional, Uematsu, Keizo, additional, Umetsu, Mitsuo, additional, Usuki, Arimitsu, additional, Wakai, Fumihiro, additional, Yamaguchi, Akimasa, additional, Yamaguchi, Yukio, additional, Yamamoto, Hiromitsu, additional, Yamamoto, Kenji, additional, Yamamoto, Kimihisa, additional, Yamamoto, Atsushi, additional, Yashima, Masatomo, additional, Yokoyama, Toyokazu, additional, Yonezawa, Susumu, additional, and Zhang, Qiwu, additional

Published
2012
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33. Investigations on nanoparticle-chromophore and interchromophore interactions in pyrene-capped gold nanoparticles

Author

Ipe, Binil Itty, Thomas, George, Maenosono, Shinya, Yamaguchi, Yukio, and Minhua Jiang

Subjects
Chromophores -- Spectra, Chromophores -- Structure, Chromophores -- Research, Gold -- Spectra, Gold -- Atomic properties, Chemicals, plastics and rubber industries
Abstract

Pyrene chromophores functionalized to gold nanoparticles using methylene groups of varying chain length were prepared. A detailed investigation was conducted on the nanoparticle-chromophore and interchromophore interactions. The emission spectra studies indicated that the local environment close to the surface of Au nanoparticle was more polar compared to the bulk medium.

Published
2004

34. Photoinduced fluorescence enhancement in CdSe/ZnS quantum dot submonolayers sandwiched between insulating layers: influence of dot proximity

Author

Kimura, Junichi, Uematsu, Takafumi, Maenosono, Shinya, Yamaguchi, Yukio, and Minhua Jiang

Subjects
Monomolecular films -- Optical properties, Monomolecular films -- Atomic properties, Chemistry, Physical and theoretical -- Research, Chemicals, plastics and rubber industries
Abstract

Fluorescence enhancement (PFE) in a thin film of CdSe/ZnS core/shell quantum dots (QDs) sandwiched between a glass substrate and a silicon oxide layer and the dependence on the degree of proximity between the QDs is reported. Based on the experimental results with respect to QD submonolayers and in accordance with the theoretical model, PFE is elucidated by the charging of trapped electrons.

Published
2004

40. High level ab initio quantum mechanical predictions of infrared intensities

Author

Galabov, Boris, Yamaguchi, Yukio, Remington, Richard B., and Schafer, Henry F. III.

Subjects
Chemistry, Physical and theoretical -- Research, Electronic structure -- Analysis, Infrared spectra -- Analysis, Spectral energy distribution -- Analysis, Chemicals, plastics and rubber industries
Published
2002

41. CONTROL OF NANOSTRUCTURE OF MATERIALS

Author

Abe, Hiroya, primary, Miyamoto, Yoshinari, additional, Umetsu, Mitsuo, additional, Uchikoshi, Tetsuo, additional, Okubo, Tatsuya, additional, Naito, Makio, additional, Hotta, Yuji, additional, Kasuga, Tomoko, additional, Suda, Akihiko, additional, Mori, Hidetoshi, additional, Mezaki, Reiji, additional, Morimoto, Tsutomu, additional, Azushima, Akira, additional, Kondou, Katsuyoshi, additional, Uematsu, Keizo, additional, Takada, Takahiro, additional, Nogi, Kiyoshi, additional, Fujii, Hidetoshi, additional, Akedo, Jun, additional, Kinemuchi, Yoshiaki, additional, Sakka, Yoshio, additional, Yamaguchi, Yukio, additional, Masuda, Yoshitake, additional, and Inagaki, Shinji, additional

Published
2008
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42. List of Contributors

Author

Abe, Hiroya, primary, Adschiri, Tadafumi, additional, Akatsu, Takashi, additional, Akedo, Jun, additional, Ando, Masanori, additional, Ando, Yoshinori, additional, Awano, Masanobu, additional, Azushima, Akira, additional, Baba, Tetsuya, additional, Ehara, Kensei, additional, Emi, Hitoshi, additional, Fudouzi, Hiroshi, additional, Fukui, Hiroshi, additional, Fukui, Takehisa, additional, Fukumori, Yoshinobu, additional, Fuji, Masayoshi, additional, Fujii, Hidetoshi, additional, Goda, Hideki, additional, Gotoh, Kuniaki, additional, Hakuta, Yukiya, additional, Hara, Kaori, additional, Hayashi, Kazuyuki, additional, Higashitani, Ko, additional, Hirao, Kazuyuki, additional, Hosokawa, Masuo, additional, Hotta, Yuji, additional, Ichikawa, Hideki, additional, Ida, Takashi, additional, Ihara, Manabu, additional, Inagaki, Shinji, additional, Inoue, Mitsuteru, additional, Iritani, Eiji, additional, Ishida, Naoyuki, additional, Iwata, Mikimasa, additional, Kajikawa, Kotaro, additional, Kakui, Toshio, additional, Kamiya, Hidehiro, additional, Kaneko, Kenji, additional, Kanie, Kiyoshi, additional, Kasai, Hitoshi, additional, Kasuga, Tomoko, additional, Katamoto, Tsutomu, additional, Katsura, Shinji, additional, Kawahara, Masayoshi, additional, Kinemuchi, Yoshiaki, additional, Kirihara, Soshu, additional, Kondoh, Akihiko, additional, Kondou, Katsuyoshi, additional, Kousaka, Yasuo, additional, Kurihara, Kazue, additional, Kuroda, Shun'ichi, additional, Kurumada, Ken-ichi, additional, Li, Chunliang, additional, Makino, Hisao, additional, Masuda, Hiroaki, additional, Masuda, Yoshitake, additional, Matsuda, Motohide, additional, Matsuyama, Tatsushi, additional, Matsusaka, Shuji, additional, Mezaki, Reiji, additional, Mikayama, Takeshi, additional, Miyajima, Kiyotomi, additional, Miyahara, Minoru, additional, Miyamoto, Yoshinari, additional, Miyayama, Masaru, additional, Miyazaki, Hideki T., additional, Mori, Hidetoshi, additional, Morimoto, Tsutomu, additional, Muramatsu, Atsushi, additional, Murase, Norio, additional, Myojo, Toshihiko, additional, Naito, Makio, additional, Nakajima, Noriyuki, additional, Nakanishi, Hachiro, additional, Nakamoto, Masami, additional, Namiki, Norikazu, additional, Nogi, Kiyoshi, additional, Noguchi, Yuji, additional, Nomura, Toshiyuki, additional, Ohara, Satoshi, additional, Ohtomo, Akira, additional, Oikawa, Hidetoshi, additional, Okamoto, Tomoichiro, additional, Okubo, Tatsuya, additional, Okuyama, Kikuo, additional, Otani, Yoshio, additional, Otsubo, Yasufumi, additional, Saito, Fumio, additional, Sakaguchi, Shuji, additional, Sakka, Yoshio, additional, Sasaki, Takafumi, additional, Satoh, Norifusa, additional, Shikano, Haruhide, additional, Shimada, Manabu, additional, Senda, Tetsuya, additional, Setsuhara, Yuichi, additional, Suda, Akihiko, additional, Suzuki, Hisao, additional, Suzuki, Michitaka, additional, Takada, Takahiro, additional, Takami, Seiichi, additional, Takase, Hirofumi, additional, Takeuchi, Hirofumi, additional, Tatami, Junichi, additional, Toda, Kenji, additional, Tsujimoto, Hiroyuki, additional, Uchikoshi, Tetsuo, additional, Uematsu, Keizo, additional, Umetsu, Mitsuo, additional, Usuki, Arimitsu, additional, Wakai, Fumihiro, additional, Yamaguchi, Akimasa, additional, Yamaguchi, Yukio, additional, Yamamoto, Atsushi, additional, Yamamoto, Hiromitsu, additional, Yamamoto, Kenji, additional, Yamamoto, Kimihisa, additional, Yashima, Masatomo, additional, Yokoyama, Toyokazu, additional, and Yonezawa, Susumu, additional

Published
2008
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43. A systematic study of the X(super ~) B1(super 2), A(super ~) A1(super 2) and B(super ~) B2(super 2) states of the neutral radical PH2

Author

Woodcock, H. Lee, Wesolowski, Steven S., Yamaguchi, Yukio, and Schaefer, Henry F., III

Subjects
Chemistry, Physical and theoretical -- Research, Radicals (Chemistry) -- Research, Chemicals, plastics and rubber industries
Abstract

The three lowest-lying electronic states of PH2, X~B1(super 2), A~ A1(super 2) and B~B2(super 2) are studied by means of ab initio electronic structure theory. The total energies, equilibrium structures and physical properties are investigated using ab initio self-consistent field (SCF), configuration interaction (CISD), complete active space and coupled cluster wave functions with a wide variety of basis sets.

Published
2001

44. Predictive study of a plasma structure and function in reactive ion etcher driven by two very high frequency: validity of an extended two-dimensional relaxation continuum model

Author

Maeshige, Kazunobu, Hasebe, Masao, Yamaguchi, Yukio, and Makabe, Toshiaki

Subjects
Plasma etching -- Research, Semiconductor wafers -- Research, Semiconductors -- Research, Physics
Abstract

The physical function and plasma structure of a reactive ion etcher driven by a frequency of 100MHz are reported.

Published
2000

45. Three lowest-lying electronic states of NH2

Author

Yamaguchi, Yukio, Hoffman, Brian C., Stephens, Jeffrey C., and Schaefer, Henry F., III

Subjects
Electronic structure -- Research, Free radicals (Chemistry) -- Research, Chemicals, plastics and rubber industries
Abstract

An investigation of the energetics and physical properties of the four low-lying electronic states of NH2 is presented. The energetics and physical properties of the three equilibrium states studied may be accurately obtained in the variational sense.

Published
1999

46. The X (super 1)A(sub 1), a (super3)B(sub1) and A (super 1)B(sub 1) electronic states of the aluminum dihydride anion

Author

Hoffman, Brian C., Yamaguchi, Yukio, and Schaefer, Henry F.

Subjects
Aluminum compounds -- Research, Anions -- Research, Electronic structure -- Research, Chemicals, plastics and rubber industries
Abstract

The three lowest-lying electronic states of the aluminum hydride anion were investigated. Self-consistent-field, two-configuration self-consistent field, complete active space self-consistent-field, configuration interaction including single and double excitations and CASSCF-based second-order interaction levels of theory were used with five basis sets of triple-zeta quality. The total electronic energies, the dipole moments, harmonic vibrational frequencies and associated infrared intensities were determined for each electronic state.

Published
1999

49. X (super3)B(sub1), a (super1)A(sub1), and c 1(sigma)(super +)(sub g) electronic states of NH2+

Author

Stephens, Jeffrey C., Yamaguchi, Yukio, Sherrill, C. David, and Schaefer, Henry F., III

Subjects
Electronic structure -- Research, Chemicals, plastics and rubber industries
Abstract

The title electronic states of the nitrenium ion have been investigated by ab initio molecular electronic structure calculations. The equilibrium geometries, harmonic vibrational frequencies, infrared intensities and dipole moments were determined by self-consistent-field, configuration interaction with single and double excitations and complete active space wave functions. The results showed that the ground, first and second excited states are bent while the third excite state is linear in geometries.

Published
1998

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