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Theoretical study of a flexible wiretype Joule Thomson micro-refrigerator for use in cryosurgery

Widyaparaga, A., Kuwamoto, M., Sakoda, N., Kohno, M. & Takata, Y., 12 1 2010, ASME 2010 8th International Conference on Nanochannels, Microchannels, and Minichannels Collocated with 3rd Joint US-European Fluids Engineering Summer Meeting, ICNMM2010. PARTS A AND B 版 p. 591-598 8 p. (ASME 2010 8th International Conference on Nanochannels, Microchannels, and Minichannels Collocated with 3rd Joint US-European Fluids Engineering Summer Meeting, ICNMM2010; 番号 PARTS A AND B).

研究成果: Chapter in Book/Report/Conference proceedingConference contribution

Theoretical study of Al(iii)-catalyzed conversion of glyoxal to glycolic acid: Dual activated 1,2-hydride shift mechanism by protonated Al(OH) 3 species

Ohshima, T., Yamamoto, Y., Takaki, U., Inoue, Y., Saeki, T., Itou, K., Maegawa, Y., Iwasaki, T. & Mashima, K., 2009, : : Chemical Communications. 19, p. 2688-2690 3 p.

研究成果: Contribution to journalArticle

15 引用 (Scopus)

Theoretical study of a neutral, doubly protonated, and doubly deprotonated porphyrin dithiolate used as a molecular switch

Girard, Y., Kondo, M. & Yoshizawa, K., 8 21 2006, : : Chemical Physics. 327, 1, p. 77-84 8 p.

研究成果: Contribution to journalArticle

36 引用 (Scopus)

Theoretical study of aryl-ring rotation in arylporphyrins

Okuno, Y., Kamikado, T., Yokoyama, S. & Mashiko, S., 10 11 2002, : : Journal of Molecular Structure: THEOCHEM. 594, 1-2, p. 55-60 6 p.

研究成果: Contribution to journalArticle

25 引用 (Scopus)

Theoretical study of benzonitrile clusters in the gas phase and their adsorption onto a Au(111) surface

Okuno, Y., Yokoyama, T., Yokoyama, S., Kamikado, T. & Mashiko, S., 6 19 2002, : : Journal of the American Chemical Society. 124, 24, p. 7218-7225 8 p.

研究成果: Contribution to journalArticle

46 引用 (Scopus)

Theoretical study of CO escaping pathway in myoglobin with the 3D-RISM teory

Kiyota, Y., Hiraoka, R., Yoshida, N., Maruyama, Y., Imai, T. & Hirata, F., 3 25 2009, : : Journal of the American Chemical Society. 131, 11, p. 3852-3853 2 p.

研究成果: Contribution to journalArticle

55 引用 (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., 4 6 2017, : : Journal of Physical Chemistry C. 121, 13, p. 7294-7302 9 p.

研究成果: Contribution to journalArticle

5 引用 (Scopus)

Theoretical study of cylindrical energy analyzers for MeV range heavy-ion beam probes

Fujisawa, A. & Hamada, Y., 12 1 1993, : : Review of Scientific Instruments. 64, 12, p. 3503-3514 12 p.

研究成果: Contribution to journalArticle

7 引用 (Scopus)

Theoretical study of donor-π-bridge-acceptor unimolecular electric rectifier

Staykov, A., Nozaki, D. & Yoshizawa, K., 8 9 2007, : : Journal of Physical Chemistry C. 111, 31, p. 11698-11705 8 p.

研究成果: Contribution to journalArticle

118 引用 (Scopus)

Theoretical study of droplet impingement on a solid surface below the Leidenfrost temperature

Fukai, J., Shiiba, Y. & Miyatake, O., 7 1997, : : International Journal of Heat and Mass Transfer. 40, 10, p. 2490-2492 3 p.

研究成果: Contribution to journalArticle

22 引用 (Scopus)

Theoretical study of electronic and geometric structures of a series of lanthanide trihalides LnX3 (Ln = La-Lu; X = Cl, F)

Tsuchiya, T., Taketsugu, T., Nakano, H. & Hirao, K., 4 2 1999, : : Journal of Molecular Structure: THEOCHEM. 461-462, p. 203-222 20 p.

研究成果: Contribution to journalArticle

54 引用 (Scopus)

Theoretical study of ethylene&1-butene co-polymerization on metallocene catalyst system

Zhong, H., Hayashi, S., Kawarasaki, T., Malani, H., Tsuboi, H., Koyama, M., Endou, A., Takaba, H., Kubo, M., Del Carpio, C. A. & Miyamoto, A., 12 1 2006, p. 2699-2700. 2 p.

研究成果: Contribution to conferencePaper

4 引用 (Scopus)

Theoretical study of inorganic carbonaceous species reaction with the surfaces of BaTiO3(001)

Rivera, D. S., Ishimoto, T., Quang-Tuyen, T., Shiratori, Y. & Koyama, M., 1 1 2015, Solid Oxide Fuel Cells 14, SOFC 2015. Singhal, S. C. & Eguchi, K. (版). 1 版 Electrochemical Society Inc., p. 3177-3185 9 p. (ECS Transactions; 巻数 68, 番号 1).

研究成果: Chapter in Book/Report/Conference proceedingConference contribution

Theoretical study of intermolecular interaction at the lipid-water interface. 1. Quantum chemical analysis using a reaction field theory

Sakurai, M., Tamagawa, H., Inoue, Y., Ariga, K. & Kunitake, T., 6 12 1997, : : Journal of Physical Chemistry B. 101, 24, p. 4810-4816 7 p.

研究成果: Contribution to journalArticle

103 引用 (Scopus)

Theoretical study of intermolecular interaction at the lipid-water interface. 2. Analysis based on the Poisson-Boltzmann equation

Tamagawa, H., Sakurai, M., Inoue, Y., Ariga, K. & Kunitake, T., 6 12 1997, : : Journal of Physical Chemistry B. 101, 24, p. 4817-4825 9 p.

研究成果: Contribution to journalArticle

87 引用 (Scopus)

Theoretical study of lithium-doped polycyclic aromatic hydrocarbons

Ago, H., Nagata, K., Yoshizawa, K., Tanaka, K. & Yamabe, T., 1997, : : Bulletin of the Chemical Society of Japan. 70, 7, p. 1717-1726 10 p.

研究成果: Contribution to journalArticle

26 引用 (Scopus)

Theoretical study of long-range electron transport in molecular junctions

Nozaki, D., Girard, Y. & Yoshizawa, K., 11 6 2008, : : Journal of Physical Chemistry C. 112, 44, p. 17408-17415 8 p.

研究成果: Contribution to journalArticle

45 引用 (Scopus)

Theoretical study of low lying electronic states of GdO

Sakai, Y., Nakai, T., Mogi, K. & Miyoshi, E., 1 2003, : : Molecular Physics. 101, 1-2, p. 117-123 7 p.

研究成果: Contribution to journalArticle

7 引用 (Scopus)

Theoretical study of low-lying electronic states of TiCl and ZrCl

Sakai, Y., Mogi, K. & Miyoshi, E., 9 1 1999, : : Journal of Chemical Physics. 111, 9, p. 3989-3994 6 p.

研究成果: Contribution to journalArticle

16 引用 (Scopus)

Theoretical study of molecular rectification in porphyrin dimer

Okuno, Y. & Yokoyama, S., 3 3 2008, : : Thin Solid Films. 516, 9, p. 2630-2634 5 p.

研究成果: Contribution to journalArticle

9 引用 (Scopus)

Theoretical study of near neutrality. I. Heterozygosity and rate of mutant substitution

Ohta, T. & Tachida, H., 10 3 1990, : : Genetics. 126, 1, p. 219-229 11 p.

研究成果: Contribution to journalArticle

68 引用 (Scopus)

Theoretical study of oxidation of cyclohexane diol to adipic anhydride by [RuIV(O)(tpa)(H2O)]2+ complex (tpa = Tris(2-pyridylmethyl)amine)

Shiota, Y., Herrera, J. M., Juhász, G., Abe, T., Ohzu, S., Ishizuka, T., Kojima, T. & Yoshizawa, K., 7 4 2011, : : Inorganic chemistry. 50, 13, p. 6200-6209 10 p.

研究成果: Contribution to journalArticle

9 引用 (Scopus)

Theoretical Study of Pd11Si6 Nanosheet Compounds Including Seven-Coordinated Si Species and Its Ge Analogues

Chen, Y., Sunada, Y., Nagashima, H. & Sakaki, S., 1 18 2016, : : Chemistry - A European Journal. 22, 3, p. 1076-1087 12 p.

研究成果: Contribution to journalArticle

7 引用 (Scopus)

Theoretical study of PDF materials

Miyamoto, A., Onuma, H., Kikuchi, H., Tsuboi, H., Koyama, M., Endou, A., Takaba, H., Kubo, M., Del Carpio, C. A., Selvam, P. & Kajiyama, H., 2006, : : Proceedings of International Meeting on Information Display. 2006, p. 121-124 4 p.

研究成果: Contribution to journalConference article

3 引用 (Scopus)

Theoretical study of photophysical properties of bisindolylmaleimide derivatives

Saita, K., Nakazono, M., Zaitsu, K., Nanbu, S. & Sekiya, H., 7 23 2009, : : Journal of Physical Chemistry A. 113, 29, p. 8213-8220 8 p.

研究成果: Contribution to journalArticle

21 引用 (Scopus)

Theoretical study of photo-physical properties of indolylmaleimide derivatives

Zheng, Z., Zhao, Y., Nakazono, M. & Nanbu, S., 2 28 2012, : : Physical Chemistry Chemical Physics. 14, 9, p. 3017-3024 8 p.

研究成果: Contribution to journalArticle

6 引用 (Scopus)

Theoretical study of salt effects on the diels-alder reaction of cyclopentadiene with methyl vinyl ketone using RISM-SCF theory

Yoshida, N., Tanaka, H. & Hirata, F., 11 14 2013, : : Journal of Physical Chemistry B. 117, 45, p. 14115-14121 7 p.

研究成果: Contribution to journalArticle

5 引用 (Scopus)

Theoretical study of solvent effects of first-order hyperpolarizabilities of nitro-azobenzene dendrimers

Yamaguchi, Y., Yokomichi, Y., Yokoyama, S. & Mashiko, S., 2 14 2002, : : Journal of Molecular Structure: THEOCHEM. 578, 1-3, p. 35-45 11 p.

研究成果: Contribution to journalArticle

12 引用 (Scopus)

Theoretical study of stability, structures, and aromaticity of multiply N-confused porphyrins

Furuta, H., Maeda, H. & Osuka, A., 12 14 2001, : : Journal of Organic Chemistry. 66, 25, p. 8563-8572 10 p.

研究成果: Contribution to journalArticle

72 引用 (Scopus)

Theoretical study of support effect of Au catalyst for glucose oxidation of alkaline fuel cell anode

Ishimoto, T., Hamatake, Y., Kazuno, H., Kishida, T. & Koyama, M., 1 1 2015, : : Applied Surface Science. 324, p. 76-81 6 p.

研究成果: Contribution to journalArticle

18 引用 (Scopus)
17 引用 (Scopus)

Theoretical study of tetrahedral site occupation by hydrogen in Pd nanoparticles

Ishimoto, T. & Koyama, M., 1 21 2018, : : Journal of Chemical Physics. 148, 3, 034705.

研究成果: Contribution to journalArticle

9 引用 (Scopus)
12 引用 (Scopus)

Theoretical study of the composition pulling effect in InGaN metalorganic vapor-phase epitaxy growth

Inatomi, Y., Kangawa, Y., Ito, T., Suski, T., Kumagai, Y., Kakimoto, K. & Koukitu, A., 7 2017, : : Japanese Journal of Applied Physics. 56, 7, 078003.

研究成果: Contribution to journalArticle

11 引用 (Scopus)

Theoretical study of the decay-out spin of superdeformed bands in the Dy and Hg regions

Shimizu, Y. R., Matsuo, M. & Yoshida, K., 2 12 2001, : : Nuclear Physics A. 682, 1-4, p. 464-469 6 p.

研究成果: Contribution to journalArticle

19 引用 (Scopus)
76 引用 (Scopus)

Theoretical Study of the Direct Conversion of Methane to Methanol Using H2O2as an Oxidant on Pd and Au/Pd Surfaces

Sajith, P. K., Staykov, A. T., Yoshida, M., Shiota, Y. & Yoshizawa, K., 6 18 2020, : : Journal of Physical Chemistry C. 124, 24, p. 13231-13239 9 p.

研究成果: Contribution to journalArticle

Theoretical study of the direct synthesis of H2O2 on Pd and Pd/Au surfaces

Staykov, A. T., Kamachi, T., Ishihara, T. & Yoshizawa, K., 12 11 2008, : : Journal of Physical Chemistry C. 112, 49, p. 19501-19505 5 p.

研究成果: Contribution to journalArticle

94 引用 (Scopus)

Theoretical study of the electronic ground state of iron(II) porphine

Choe, Y. K., Hashimoto, T., Nakano, H. & Hirao, K., 10 16 1998, : : Chemical Physics Letters. 295, 4, p. 380-388 9 p.

研究成果: Contribution to journalArticle

36 引用 (Scopus)

Theoretical study of the excitation spectra of five-membered ring compounds: Cyclopentadiene, furan, and pyrrole

Nakano, H., Tsuneda, T., Hashimoto, T. & Hirao, K., 1 1 1996, : : Journal of Chemical Physics. 104, 6, p. 2312-2320 9 p.

研究成果: Contribution to journalArticle

77 引用 (Scopus)

Theoretical study of the ground and excited states of silicon clusters: Si8Hx

Nakajima, K., Yoshizawa, K. & Yamabe, T., 10 2000, : : Journal of Applied Physics. 88, 7, p. 4340-4346 7 p.

研究成果: Contribution to journalArticle

3 引用 (Scopus)

Theoretical Study of the Hydrogen Absorption Mechanism into a Palladium Nanocube Coated with a Metal-Organic Framework

Nanba, Y., Tsutsumi, T., Ishimoto, T. & Koyama, M., 7 13 2017, : : Journal of Physical Chemistry C. 121, 27, p. 14611-14617 7 p.

研究成果: Contribution to journalArticle

7 引用 (Scopus)

Theoretical study of the mechanism of valence tautomerism in cobalt complexes

Sato, D., Shiota, Y., Juhász, G. & Yoshizawa, K., 12 16 2010, : : Journal of Physical Chemistry A. 114, 49, p. 12928-12935 8 p.

研究成果: Contribution to journalArticle

42 引用 (Scopus)

Theoretical study of thermal isomerization of silacyclobutene to cyclopropene

Shiota, Y., Yasunaga, M., Naka, A., Ishikawa, M. & Yoshizawa, K., 9 27 2004, : : Organometallics. 23, 20, p. 4744-4749 6 p.

研究成果: Contribution to journalArticle

13 引用 (Scopus)
30 引用 (Scopus)

Theoretical study of thermofrictional oscillations due to negative friction-temperature characteristic

Nosko, O., Nagamine, T., Mori, H. & Sato, Y., 3 11 2013, : : Tribology International. 61, p. 235-243 9 p.

研究成果: Contribution to journalArticle

1 引用 (Scopus)

Theoretical study of the valence π→π* excited states of polyacenes: Benzene and naphthalene

Hashimoto, T., Nakano, H. & Hirao, K., 1 1 1996, : : Journal of Chemical Physics. 104, 16, p. 6244-6258 15 p.

研究成果: Contribution to journalArticle

118 引用 (Scopus)