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総説
理論計算によるクラスター研究：構造と電子状態
橋本 健朗
先端化学シリーズIV（理論・計算化学、クラスター、スペースケミストリー)、pp.134-139、2003、日本化学会、丸善
Solvation of Sodium Atom and Aggregates in Ammonia Clusters
Kiyokazu Fuke, Kenro Hashimoto and Ryozo Takasu
In M. Duncun ed., Advances in Metal and Semiconductor Clusters, Vol.5,
Elsevier, 2001, pp.1-37.
Structures, Spectroscopies and Reactions of Atomic Ions With Water
Clusters
Kiyokazu Fuke, Kenro Hashimoto and Suehiro Iwata
In I.Prigogine and S. A. Rice eds., Advances in Chemical Physics Vol.
110 ,Chapter 7, pp.433-523, John Wiley and Sons, 1999, New York
原著論文
Structure of 1-naphthol-water clusters in the S1 state studied by UV-IR fluorescence dip spectroscopy and ab initio molecular orbital calculations
Toshihiko Shimizu, Ruriko Yoshino, Shun-ichi Ishiuchi, Kenro Hashimoto, Mitsuhiko Miyazaki and Masaaki Fujii
Chem. Phys. Lett., 557, 19-25(2013)
Theoretical Study of Sodium-Water Surface Reaction Mechanism
Shin KIKUCHI, Akikazu KURIHARA, Hiroyuki OHSHIMA, Kenro HASHIMOTO
J. Pow. Energy. Sys., 6, 76-86 (2012).
Matrix-assisted laser desorption ionization using lithium-substituted mordenite surface
J. Suzuki, A. Sato, R. Yamamoto, T. Asano, T. Shimosato, H. Shima, J. N. Kondo, K-i. Yamashita, K. Hashimoto, T. Fujino
Chem. Phys. Lett. 562(2012), pp.159-163.
液体ナトリウム表面における水分子の反応性
菊地 晋，栗原 成計，大島 宏之，橋本 健朗,
日本原子力学会和文論文誌,11(2012), 147-157.
Face-to-Face Arranged Dimeric Tetrathiafulvalenes in 1,8-Bis(tetrathiafulvalenyl)
naphthalenes as a Model of Mixed Valence and pi-Dimer States
Masashi Hasegawa, Kota Daigoku, Kenro Hashimoto,Haruyuki Nishikawa and Masahiko Iyoda
Bull. Chem. Soc. Jpn., 85 (2012),51-60.
Microhydration of the methylene blue cation in an electrospray ion source
T. Sato, T. Majima, Kenro Hashimoto, Kohei Hashimoto, Y. Zama, J. Matsumoto, H. Shiromaru, K. Okuno, H. Tamura, and T. Azuma
Euro. Phys. J. D 63(2011), 189-194.
The H2O-O2 water vapour complex in the Earth’s atmosphere
Y. Kasai, E.Dupy, R.Saito, K.Hashimoto, A.Sabu, S.Kondo, Y.Sumiyoshi, Y.Endo
Atmos. Chem. Phys. Discuss. 11, 2011, 10069-10086. (Atmos. Chem. Phys. 11(2011), 8607-8612).
Structural Evolution of (1-NpOH)n Clusters Studied by R2PI and IR
Dip Spectroscopies
Morihisa Saeki, Shun-ichi Ishiuchi, Makoto Sakai,
Kenro Hashimoto and Masaaki Fujii
J. Phys. Chem. A.114, 11210-11215 (2010).
A Hybrid Data Base: Quantum Chemistry Literature Data Base II -New Concept
and New Methodology-
Keiko Takano, Nobuaki Koga, Toshio Matsushita, Kenro Hashimoto,
Haruo Hosoya, Hidenori Matsuzawa, Umpei Nagashima, Takeshi Nishikawa,
Hiroaki Waqsada, Shinichi Yamabe, Masanori Tachikawa, and Masahiko Hada
Bull. Chem. Soc. Jpn, 83(2010), 660-666.
Pronounced Selectivity in MALDI Mass Spectrometry with
2,4,6-Trihydroxyacetophenone on Zeolite Surface: Intensity Enhancement of
Protonated Peptides and Suppression of Matrix-related Ions
Yusuke Komori, Hisashi Shima, Tatsuya Fujino, Junko N. Kondo, Kenro
Hashimoto, and Takashi Korenaga
J. Phys. Chem. C,114(2010),1519-1600.
Formation and localization of a solvated electron in ground and low-lying excited states of Li(NH3)n and Li(H2O)n clusters: A comparison with Na(NH3)n and Na(H2O)n
Kenro Hashimoto, Kota Daigoku
Phys. Chem. Chem. Phys., 2009, 11, 9391 - 9400.
Ground anfd low-lying excited states of Na(NH3)n and Na(H2O)n clusters: Formation and localization of solvated electron
Kenro Hashimoto, Kota Daigoku
Chem. Phys. Lett. 469(2009), 62-67.
Hydrogen transfer dynamics in a photoexcited phenol/ammonia (1:3) cluster studied by picosecond time-resolved UV-IR-UV ion dip spectroscopy
Shun-ichi Ishiuchi, Makoto Sakai, Kota Daigoku, Kenro Hashimoto, Masaaki Fujii
J. Chem. Phys. 127(2007), 234304 (8 pages).
Laser Induced emission spectra of polyyne molecules C2nH2(n=5-8)
Tomonari Wakabayashi, Hiroyuki Nagayama, Kota Daigoku, Yosuke Kiyooka, Kenro Hashimoto
Chem. Phys. Lett. 446(2007), 65-70.
Hydration Process of Na2- in Small Water Clusters: Photoelectron Spectroscopy and Theoretical Study of Na2-(H2O)n
Akimasa Fujihara, Chiyoko Miyata, Kiyokazu Fuke, Kota Daigoku, Naomi Murata and Kenro Hashimoto
J. Phys. Chem.A 111(2007), 7364 - 7373.
Electronic States of Sodium Dimer in Ammonia Clusters: Theoretical Study of Photoelectron Spectra for Na2-(NH3)n(n=0-6)
Kenro Hashimoto, Toshihiko Shimizu, and Kota Daigoku
J. Phys. Chem.A 111(2007), 1990-1997.
Resonance Raman spectra of polyyne molecules C10H2 and C12H2 in solution
Tomonari Wakabayashi, Hiroshi Tabata, Tatsuya Doi, Hiroyuki Nagayama, Koji Okuda, Rui Ueda, Ichiro Hisaki, Motohiro Sonoda, Yoshito Tobe, Toshie Minematu, Kenro Hashimoto, Shinji Hayashi
Chem. Phys. Lett. 433(2007), 296-300.
NaH2O dynamics following electron detachment from Na-(H2O) anion
Satomi Kondo, Kenro Hashimoto, Hiroto Tachikawa
Chem. Phys. Lett. 431(2006), 45-50.
Measurement of the rate coefficient for the OH +NO2 reaction under the atmospheric pressure: Its humidity dependence
Y. Sadanaga, S. Kondo, K. Hashimoto, Y. Kajii
Chem. Phys. Lett. 419(2006), 474-478.
Theoretical Study of O2-H2O; Potential Surface, Molecular Vibrations and Equilibrium Constant at Atmospheric Temperatures
Akiyoshi Sabu, Satomi Kondo, Ryo Saito, Yasuko Kasai, Kenro Hashimoto
J.Phys. Chem. A, 109(2005), 1836-1842.
Theoretical study of the electronic
state and H-elimination reactions for solvated magnesium cluster ions
Kota Daigoku and Kenro Hashimoto
J.Chem.Phys. 121(2004), 3569-3576.
Potential energy surface and intermolecular vibrations of
O2-H2O
Akiyoshi Sabu, Satomi Kondo, Nobuaki Miura, Kenro Hashimoto
Chem.Phys.Lett. 391(2004), 101-105.
Four-color hole burning
spectra of phenol/ammonia 1:3 and 1:4 clusters
Shun'ichi Ishiuchi, Kota Daigoku, Kenro Hashimoto and Masaaki Fujii
J.Chem.Phys. 120(2004), 3215-3220.
Electronically excited states of sodium-water-clusters
Claus Peter Schulz, Christiana Bobbert, Taku Shimosato, Kota Daigoku, Nobuaki Miura, and Kenro Hashimoto
J. Chem. Phys.119(2003),11620-11629.
Photochemistry of Phenol-(NH3)n Clusters: Solvent Effect of a Radical Cleavage of an OH bond
in an Electronically Excited State and Intracluster reactions of
the Product NH4(NH3)n-1 (n =< 5)
Kota Daigoku, Shun'ichi Ishiuchi, Makoto Sakai, Masaaki Fujii and Kenro Hashimoto
J. Chem. Phys.119(2003),5149-5158.
Photodissociation and ab initio studies of Mg+(NH3)n n = 1-4:Electronic structure and photoinduced reaction
S. Yoshida, K. Daigoku, N. Okai, A. Takahata, A. Sabu, K. Hashimoto, and K. Fuke
J. Chem. Phys. 117(2002),8657-8669.
Microscopic Solvation and Spontaneous Ionization of Li in Small Polar Solvent Clusters: Theoretical Analysis of Photoelectron Spectra for Li-(NH3)n and Li-(H2O)n (n=1-4)
Kenro Hashimoto, Kota Daigoku, Tetsuya Kamimoto, and Taku Shimosato
Internet Electron. J. Mol. Des. 1(2002), 503-526,
http://www.biochempress.com
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(PDF Reprint)
Hydrogen transfer in photo-excited phenol / ammonia clusters by UV-Near IR-UV ion dip spectroscopy and ab initio molecular orbital calculations II: Vibrational transition
Shun-ichi Ishiuchi, Kota Daigoku, Morihisa Saeki, Makoto Sakai, Kenro Hashimoto, and Masaaki Fujii
J. Chem. Phys. 117(2002), 7083-7093.
Hydrogen transfer in photo-excited phenol / ammonia clusters by UV-Near IR-UV ion dip spectroscopy and ab initio molecular orbital calculations I: Electronic transition
Shun-ichi Ishiuchi, Kota Daigoku, Morihisa Saeki, Makoto, Sakai, Kenro Hashimoto, and Masaaki Fujii
J. Chem. Phys. 117(2002), 7077-7082.
Electronic quenching of O(1D) by collisions with O2: A theoretical study
in a collinear case
Nobuaki Miura, Kenro Hashimoto, Kenshi Takahashi, Nori Taniguchi, and
Yutaka Matsumi
J. Chem. Phys. 116(2002), 5551-5556.
Pico-second time-resolved infrared spectra of photo-excited
phenol-(NH3)3 cluster
Shun-ichi Ishiuchi, Makoto Sakai, Kota Daigoku, Tadashi Ueda, Takaya
Yamanaka, Kenro Hashimoto, Masaaki Fujii
Chem. Phys. Lett. 347(2001), 87-92.
Electronic states of NH4(NH3)n (n=0-4) cluster radicals
Kota Daigoku, Nobuaki Miura, Kenro Hashimoto
Chem. Phys. Lett. 346(2001), 81-88.
Structures of carbazole-(H2O)n (n = 1-3) clusters studied by IR dip
spectroscopy and a quantum chemical calculation
M. Sakai, K. Daigoku, S. Ishiuchi, M. Saeki, K. Hashimoto and M.
Fujii
J. Phys. Chem. A. 105(2001), 8651-8657.
Photodissociation Spectroscopy of Li-H2O and Li-D2O Complexes
R. Takasu, K. Nishikawa, N. Miura, A. Sabu, K. Hashimoto, C. P.
Schulz, I. V. Hertel, and K. Fuke
J. Phys. Chem. A. 105(2001) , 6602-6608.
Theoretical Study of [Na(NH3)n]- (n=1-4)
K. Hashimoto, T. Kamimoto, N. Miura, R. Okuda and K. Daigoku
J. Chem. Phys. 113(2000), 9540-9548.
Theoretical Study of [Na(H2O)n]- (n=1-4) Clusters: Geometries, Vertical
Detachment Energies and IR Spectra
K. Hashimoto, T. Kamimoto and K. Daigoku
J. Phys. Chem. A, 104(2000), 3299-3307.
Solvation Process of Nam in Small Ammonia Clusters: Photoelectron
Spectroscopy of Nam-(NH3)n (m<=3)
R. Takasu, H. Ito, K. Nishikawa, K.Hashimoto, R. Okuda and K. Fuke
J. Electron. Spectros. Rela. Phenom. 106(2000),127-139.
Solvation of Sodium Dimer in Ammonia Clusters; Photoelectron
Spectroscopy and ab Initio Study of Na2-(NH3)n
Ryozo Takasu, Kenro Hashimoto, Rei Okuda and Kiyokazu Fuke
J. Phys. Chem. A, 103(1999), 349-354.
Structure of 1-Naphthol-Water Clusters as Studied by IR Dip
Spectroscopy and Ab Initio Molecular Orbital Calculation
R. Yoshino, K. Hashimoto, T. Omi, S. Ishiuchi and M. Fujii
J. Phys. Chem. A, 102(1998), 6227-6223.
Microscopic Solvation Process of Single Li Atom in Small Water
Clusters
R. Takasu, T. Takuchi, K. Hashimoto and K. Fuke
Chem. Phys. Lett. 290(1998) 481-489.
Theoretical study of microscopic solvation of Li in water clusters:
Neutral and cationic Li(H2O)n clusters (n = 1-6 and 8)
K. Hashimoto and T. Kamimoto
J. Amer. Chem. Soc. 120(1998) 3560-3570.
Microscopic Solvation Process of Alkali Atoms in Finite
Clusters:Photo-electron and Photoionization Studies of M(NH3)n and
M(H2O)n (M=Li, Li-, Na-)
R. Takasu, F. Misaizu, K. Hashimoto, and K. Fuke
J. Phys. Chem. A, 101(1997), 3078-3087.
Ab initio MO study of solvated negative alkali atom clusters: [M(H2O)n]-
and [M(NH3)n]- (M=Na and Li, n=1-3)
K. Hashimoto, T. Kamimoto and K. Fuke
Chem. Phys. Lett. 226(1997),7-15.
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