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1. Tonetto, G; Ferreira, ML; Damiani, DE
   A combined theoretical and experimental study of the effects of residual chlorine on the behavior of Pd/gamma-Al2O3 catalysts for methane oxidation
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4. Huang, YM; Lam, JWY; Cheuk, KKL; Ge, WK; Tang, BZ
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9. Yamada, K; Saiki, A; Sakaue, H; Shingubara, S; Takahagi, T
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10. Fukushima, K; Kondo, N
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11. Xu, J; Okada, H; Sugimori, S; Onnagawa, H
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12. Maruno, S; Furukawa, T; Nakahata, T; Abe, Y
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13. Tachikawa, M; Osamura, Y
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14. Sugahara, S; Fukumura, T; Matsumura, M
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15. Morita, K; Hine, K; Tsugawa, K; Kawarada, H
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16. Kunioshi, N; Yatabe, Y; Mouri, S; Fukutani, S
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17. Saito, N; Ishizaki, T; Fuwa, A
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18. Xiao, HM; Li, JS; Dong, HS
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19. Sakoguchi, A; Zushi, E; Ueoka, R; Nakashio, F; Yoshizuka, K
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20. Ohta, K; Tanaka, T; Kiyohara, K; Tawa, K; Kamada, K
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21. Mo, YR; Gao, JL
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22. Jorge, N; Gomez-Vara, ME; Cafferata, LFR; Castro, EA
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23. Kurosaki, Y; Takayanagi, T
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24. Saito, N; Fuwa, A
    Prediction for thermodynamic function of dioxins for gas phase using semi-empirical molecular orbital method with PM3 Hamiltonian
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25. Lutz, HD; Partik, M; Sassmannshausen, M
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26. Fukushima, K
    Description of the antiferromagnetic state by a molecular orbital method with the use of the regular local density approximation
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27. Windiks, R; Sauer, J
    Electronic structure and magnetic coupling in sodium electro sodalite: All-electron density functional calculations
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28. Hata, M; Fujii, Y; Ishii, M; Hoshino, T; Tsuda, M
    Catalytic mechanism of class A beta-lactamase. I. The role of Glu166 and Ser130 in the deacylation reaction
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29. Sato, K; Cheng, SH; Haruta, H; Yokoyama, T; Kumashiro, Y
    Substrate temperature dependence of the surface reaction mechanism of methane plasma chemical vapor depositon: Experimental and ab initio molecular orbital study
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30. Watanabe, T; Nakahara, H; Tokita, S
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31. Glaus, S; Calzaferri, G
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32. Morita, K; Tsugawa, K; Yamamoto, Y; Kawarada, H
    Cluster calculations of diamond-SiC interface structures
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33. Inada, Y; Tsutsui, Y; Wasada, H; Funahashi, S
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34. Yukawa, H; Takahashi, Y; Morinaga, M
    Electronic structures of hydrogen storage compound, TiFe
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35. Nakatsuka, K; Yoshino, M; Yukawa, H; Morinaga, M
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36. Sato, T; Tanaka, M; Yamabe, T
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37. Liu, Y; Fujiwara, T; Yukawa, H; Morinaga, M
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38. Muguruma, C
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39. Suenobu, K; Nagaoka, M; Yamabe, T
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40. Zinola, CF; Luna, AMC
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41. Murata, Y; Morinaga, M; Yukawa, N; Ukai, S; Nomura, S; Okuda, T; Harada, M
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42. Sugahara, S; Usami, K; Matsumura, M
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43. BRUHWILER D; GFELLER N; CALZAFERRI G
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44. BRODA MA; RZESZOTARSKA B; SMELKA L; PIETRZYNSKI G
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45. WATANABE T; IKUHARA Y; SAKUMA T
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46. Kadas, K; Naray-Szabo, G
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47. MIYAZAKI K; NAKAJIMA K; SATO K; KOINUMA H
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48. BRIZUELA G; CASTELLANI NJ
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49. LU LH; CHEN C; SUN KC
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50. LU LH; SUN KC; CHEN C
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51. MICHIDA T; YAMAOKA Y
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52. RYTZ R; CALZAFERRI G
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53. ITO A; MIYAJIMA H; YOSHIZAWA K; TANAKA K; YAMABE T
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54. MURASE H; FUJIBAYASHI T
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55. MORINAGA M; YUKAWA H
    ALLOY DESIGN WITH THE AID OF MOLECULAR-ORBITAL METHOD
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56. HAN IS; KIM CK; KIM CK; LEE BS; LEE I
    AB-INITIO STUDIES OF 3-MEMBERED RING FORMATION THROUGH INTRAMOLECULARNUCLEOPHILIC-SUBSTITUTION
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57. WATANABE T; HOSHINO T; OHDOMARI I
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58. TASI G; MIZUKAMI F; PALINKO I
    A NEW PROGRAM FOR EFFECTIVE ONE-ELECTRON (EHMO-ASED) CALCULATIONS
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59. BRANDA MM; CASTELLANI NJ
    A MOLECULAR-ORBITAL MODEL OF DEHYDRATION REACTIONS ON AN AMORPHOUS SILICA SURFACE
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60. GOTO K; UEOKA R
    STERIC CONTROL FOR THE HYDROLYSIS OF ENANTIOMERIC AND DIASTEREOMERIC ESTERS - A NEW DEVELOPMENT OF SUPRAMOLECULAR ASSEMBLIES
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61. MIYAGAWA H; KITAMURA K
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62. LECEA B; ARRIETA A; COSSIO FP
    SOLVENT EFFECTS ON THE CONFORMER DISTRIBUTION OF 2-METHOXYPROPANAL AND CHLOROACETALDEHYDE - A MODEL CASE FOR THE CONFORMATIONAL-ANALYSIS INSOLUTION OF CHIRAL ALDEHYDES INCLUDING POLAR GROUPS
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63. IMAMURA A; AOKI Y
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    Advances in colloid and interface science
    
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64. SUGIHARA S; YONEKURA I; KURAHASHI H; SEKINE R
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65. NAKASAKI Y; MIYAJIMA H; KATSUMATA R; HAYASAKA N
    AB-INITIO MOLECULAR-ORBITAL STUDY OF SUPPRESSION OF WATER-ABSORPTION AND HYDROLYSIS (F-REMOVAL) OF CHEMICAL-VAPOR-DEPOSITED SIOF FILMS BY NITROGEN DOPING
    JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS SHORT NOTES & REVIEW PAPERS
    
    Y. Nakasaki et al., "AB-INITIO MOLECULAR-ORBITAL STUDY OF SUPPRESSION OF WATER-ABSORPTION AND HYDROLYSIS (F-REMOVAL) OF CHEMICAL-VAPOR-DEPOSITED SIOF FILMS BY NITROGEN DOPING", JPN J A P 1, 36(8), 1997, pp. 5259-5267
66. KAZUMI H; HAMASAKI R; TAGO K
    RADICAL AND ION COMPOSITIONS OF BCL3 CL-2 PLASMA AND THEIR RELATION TO ALUMINUM ETCH CHARACTERISTICS/
    JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS SHORT NOTES & REVIEW PAPERS
    
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67. MIZUNO M; MIYAMOTO T; OHNISHI T; HAYASHI H
    EFFECTS OF TIN DOPING AND OXYGEN VACANCIES ON THE ELECTRONIC STATES OF INDIUM OXIDE
    JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS SHORT NOTES & REVIEW PAPERS
    
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68. NAKASAKI Y; MIYAJIMA H; KATSUMATA R; HAYASAKA N
    AB-INITIO MOLECULAR-ORBITAL STUDY OF WATER-ABSORPTION AND HYDROLYSIS OF CHEMICAL-VAPOR-DEPOSITED SIOF FILMS .1.
    JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS SHORT NOTES & REVIEW PAPERS
    
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69. NAKASAKI Y; MIYAJIMA H; KATSUMATA R; HAYASAKA N
    AB-INITIO MOLECULAR-ORBITAL STUDY OF WATER-ABSORPTION AND HYDROLYSIS OF CHEMICAL-VAPOR-DEPOSITED SIOF FILMS .2.
    JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS SHORT NOTES & REVIEW PAPERS
    
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70. OKA H; OKADA T; HORI K
    VIBRATION FREQUENCIES OF NCO SPECIES AS AN INTERMEDIATE FOR SELECTIVEREDUCTION OF NITROGEN MONOXIDE OVER COPPER ION-EXCHANGED ZSM-5
    Journal of molecular catalysis. A, Chemical
    
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71. HARADA Y; MORINAGA M; ITO A; SUGITA Y
    ELECTRONIC STATES OF ALLOYING ELEMENTS IN MOSI2 COMPOUND
    Journal of alloys and compounds
    
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72. AZUMA H; KATAGIRI Y; YAMABE S
    STERIC EFFECTS UPON TRANSITION-STATES OF RADICAL-ADDITION POLYMERIZATIONS
    Journal of polymer science. Part A, Polymer chemistry
    
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73. OGAWA T; IKEGAMI M; KITAMURA A
    CORRELATION OF PEAK POSITIONS WITH ATOMIC CHARGES IN X-RAY PHOTOELECTRON-SPECTRA OF POLYMERS
    Bunseki Kagaku
    
    T. Ogawa et al., "CORRELATION OF PEAK POSITIONS WITH ATOMIC CHARGES IN X-RAY PHOTOELECTRON-SPECTRA OF POLYMERS", Bunseki Kagaku, 45(1), 1996, pp. 77-83
74. BAKALBASSIS EG; STIAKAKI MAD; TSIPIS AC; TSIPIS CA
    GROUND AND LOW-LYING EXCITED-STATE PROPERTIES OF THE FIRST-ROW TRANSITION-METAL OXIDE DIATOMICS CALCULATED BY AN IMPROVED ASED-MO MODEL
    Chemical physics
    
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75. CALZAFERRI G; RYTZ R
    THE BAND-STRUCTURE OF DIAMOND
    Journal of physical chemistry
    
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76. ZINOLA CF; ARVIA AJ
    A SEMIEMPIRICAL QUANTUM-CHEMISTRY APPROACH TO POSSIBLE STRUCTURES ANDENERGIES OF HYDROGEN-ATOMS ADSORBED ON PT(100) AND PT(111) CLUSTERS AT A SIMULATED PT AQUEOUS ELECTROCHEMICAL INTERFACE/
    Electrochimica acta
    
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77. KANETA C
    TRAP GENERATION INDUCED BY LOCAL DISTORTION IN AMORPHOUS-SILICON DIOXIDE FILM
    JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS SHORT NOTES & REVIEW PAPERS
    
    C. Kaneta, "TRAP GENERATION INDUCED BY LOCAL DISTORTION IN AMORPHOUS-SILICON DIOXIDE FILM", JPN J A P 1, 35(2B), 1996, pp. 1540-1543
78. BARTSCH M; CALZAFERRI G; MARCOLLI C
    WHY IS THE SI-X STRETCHING FREQUENCY OF X(8)SI(8)O(12) (X=H, CH3, CL)MUCH HIGHER THAN THAT OF XSI(OSIME(3))(3)
    Research of chemical intermediates
    
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79. KAIWAI J; TANKA I; ADACHI H
    PROFILE CHANGES OF X-RAY-SPECTRA AND THEI R INTERPRETATION USING THE MOLECULAR-ORBITAL METHOD
    Bunseki Kagaku
    
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80. ZINOLA CF; TRIACA WE; ARVIA AJ
    KINETICS AND MECHANISM OF THE OXYGEN ELECTROREDUCTION REACTION ON FACETED PLATINUM-ELECTRODES IN TRIFLUOROMETHANESULFONIC ACID-SOLUTIONS
    Journal of Applied Electrochemistry
    
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81. KAZUMI H; TAGO K
    ANALYSIS OF PLASMA CHEMICAL-REACTIONS IN DRY-ETCHING OF SILICON DIOXIDE
    JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS SHORT NOTES & REVIEW PAPERS
    
    H. Kazumi e K. Tago, "ANALYSIS OF PLASMA CHEMICAL-REACTIONS IN DRY-ETCHING OF SILICON DIOXIDE", JPN J A P 1, 34(4B), 1995, pp. 2125-2131
82. NOBUTOKI H; KUMADA T; KOEZUKA H
    MOLECULAR DESIGN OF DISSOLUTION INHIBITOR IN CHEMICAL AMPLIFICATION RESIST SYSTEM BY MOLECULAR-ORBITAL METHOD - TRANSPARENCY AND REACTIVITIES WITH PROTONS
    JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS SHORT NOTES & REVIEW PAPERS
    
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83. MOCHIZUKI Y; OKAMOTO Y; ISHITANI A; HIROSE K; TAKADA T
    ON THE REACTION SCHEME FOR TI TIN CHEMICAL-VAPOR-DEPOSITION (CVD) PROCESS USING TICL4/
    JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS
    
    Y. Mochizuki et al., "ON THE REACTION SCHEME FOR TI TIN CHEMICAL-VAPOR-DEPOSITION (CVD) PROCESS USING TICL4/", JPN J A P 2, 34(3A), 1995, pp. 326-329
84. BRANDLE M; CALZAFERRI G
    SILVER CLUSTERS IN THE CAGES OF ZEOLITES - A QUANTUM-CHEMICAL STUDY
    Research of chemical intermediates
    
    M. Brandle e G. Calzaferri, "SILVER CLUSTERS IN THE CAGES OF ZEOLITES - A QUANTUM-CHEMICAL STUDY", Research of chemical intermediates, 20(8), 1994, pp. 783-806
85. ZINOLA CF; ARVIA AJ; ESTIU GL; CASTRO EA
    A QUANTUM-CHEMICAL APPROACH TO THE INFLUENCE OF PLATINUM SURFACE-STRUCTURE ON THE OXYGEN ELECTROREDUCTION REACTION
    Journal of physical chemistry
    
    C.F. Zinola et al., "A QUANTUM-CHEMICAL APPROACH TO THE INFLUENCE OF PLATINUM SURFACE-STRUCTURE ON THE OXYGEN ELECTROREDUCTION REACTION", Journal of physical chemistry, 98(31), 1994, pp. 7566-7576
86. ISOBE Y; FUSE M; KOBAYASHI K
    ADDITIVE ELEMENT EFFECTS ON ELECTRONIC CONDUCTIVITY OF ZIRCONIUM-OXIDE FILM
    Journal of Nuclear Science and Technology
    
    Y. Isobe et al., "ADDITIVE ELEMENT EFFECTS ON ELECTRONIC CONDUCTIVITY OF ZIRCONIUM-OXIDE FILM", Journal of Nuclear Science and Technology, 31(6), 1994, pp. 546-551
87. TAKAGI T; MATSUO S; TANAKA A; MOTOI Y; TANI M; FUJIWARA H; SASAKI Y
    DEVELOPMENT OF AN APPLICATIONS FOR A SIMULATOR OF INTERMOLECULAR POTENTIALS .3. DEVELOPMENT OF SIMP II AND SIMP/D AND THEIR APPLICATION/
    Chemical and Pharmaceutical Bulletin
    
    T. Takagi et al., "DEVELOPMENT OF AN APPLICATIONS FOR A SIMULATOR OF INTERMOLECULAR POTENTIALS .3. DEVELOPMENT OF SIMP II AND SIMP/D AND THEIR APPLICATION/", Chemical and Pharmaceutical Bulletin, 42(5), 1994, pp. 1009-1015
88. SATO K; YANO DS; IWABUCHI S; HIRANO T; KOINUMA H
    SIH3CH3- A POTENTIAL REACTION SYSTEM FOR PREPARING UNIFORM SIC FILM PREDICTED BY USING AN AB-INITIO MOLECULAR-ORBITAL METHOD(F )
    JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS SHORT NOTES & REVIEW PAPERS
    
    K. Sato et al., "SIH3CH3- A POTENTIAL REACTION SYSTEM FOR PREPARING UNIFORM SIC FILM PREDICTED BY USING AN AB-INITIO MOLECULAR-ORBITAL METHOD(F )", JPN J A P 1, 33(9A), 1994, pp. 4801-4806
89. FUKUSHIMA K; ENDO H
    ELECTRONIC-STRUCTURE CALCULATIONAL STUDIES ON CORROSION OF STAINLESS-STEEL IN LIQUID-METAL
    JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS SHORT NOTES & REVIEW PAPERS
    
    K. Fukushima e H. Endo, "ELECTRONIC-STRUCTURE CALCULATIONAL STUDIES ON CORROSION OF STAINLESS-STEEL IN LIQUID-METAL", JPN J A P 1, 33(5A), 1994, pp. 2613-2618
90. IDE T; INOUE Y; HIGASHIGAKI Y; YANO S
    THE NONLINEAR-OPTICAL CHARACTERISTIC OF CYANO-(3-METHOXY-4-HYDROXY-5-BROMO)METHYLCINNAMATE (CMHB)
    JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS
    
    T. Ide et al., "THE NONLINEAR-OPTICAL CHARACTERISTIC OF CYANO-(3-METHOXY-4-HYDROXY-5-BROMO)METHYLCINNAMATE (CMHB)", JPN J A P 2, 33(8B), 1994, pp. 120001189-120001191
91. TSUDA M; TAKADA T; MIYAZAKI M; UDA Y; KUZUHARA S; KITAURA K
    A STUDY ON GAMMA-AMINOBUTYRIC-ACID (GABA) AND ITS ANALOGS BY USING MOLECULAR-ORBITAL METHODS - ON EPILEPTOGENICITY OF NEW QUINOLONES
    Japanese journal of psychiatry and neurology
    
    M. Tsuda et al., "A STUDY ON GAMMA-AMINOBUTYRIC-ACID (GABA) AND ITS ANALOGS BY USING MOLECULAR-ORBITAL METHODS - ON EPILEPTOGENICITY OF NEW QUINOLONES", Japanese journal of psychiatry and neurology, 47(3), 1993, pp. 675-682
92. KUDO K; YAGETA H; KUNIYOSHI S; TANAKA K
    SURFACE PRESSURE VARIATION IN TRIPHENYLMETHANE DYE ADSORBED MEROCYANINE MONOLAYERS AT THE AIR-WATER-INTERFACE
    JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS SHORT NOTES & REVIEW PAPERS
    
    K. Kudo et al., "SURFACE PRESSURE VARIATION IN TRIPHENYLMETHANE DYE ADSORBED MEROCYANINE MONOLAYERS AT THE AIR-WATER-INTERFACE", JPN J A P 1, 32(4), 1993, pp. 1775-1778