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Ab initio surface hopping simulation on dissociative recombination of H 3 O +

Megumi Kayanuma, Tetsuya Taketsugu, Keisaku Ishii
2006 Chemical Physics Letters  
The dissociative recombination of H 3 O + has been studied by the ab initio direct trajectory simulations at the state-averaged complete active space self-consistent field level to investigate tendency in the branching ratios of the dissociative products. Five electronic states of H 3 O including two Rydberg states have been taken into account in the simulations, and nonadiabatic transitions among adiabatic states were taken into account by the Tully's fewest switches algorithm. It is verified
more » ... hat the highest energy products, OH + 2H, were generated in 87% of trajectories, while the most exothermic products, H 2 O + H, were generated in 10% of trajectories.
doi:10.1016/j.cplett.2005.11.034 fatcat:2veips334ve6fhgtj3t42updda

An ab initio molecular dynamics study on the dissociative recombination reaction of HD2O+ + e−

Megumi Kayanuma, Tetsuya Taketsugu, Keisaku Ishii
2007 Theoretical Chemistry accounts  
An ab initio molecular dynamics simulations have been carried out for the dissociative recombination reaction of the deuterium-substituted hydronium cation, HD 2 O + + e -, at the state-averaged multiconfigurational self-consistent field (SA-MCSCF) level. In the present simulations, five electronic states of HD 2 O were included explicitly, and nonadiabatic transitions among adiabatic electronic states were taken into account by the Tully's fewest switches algorithm. It is shown that the
more » ... t products, OD + D + H, were generated in 63% of trajectories, while the products, OH + 2D, were generated in only 11% of trajectories, indicating that the release of a light fragment H is favored over the release of a heavy fragment D. This result is in conformity with the observation that there is a larger amount of deuterium substituted species than the non-substituted species in the interstellar space.
doi:10.1007/s00214-007-0314-6 fatcat:u7q2tpn6v5dwhbwvksiuwib7rm

Interstitial lung disease associated with amyopathic dermatomyositis: Review of 18 cases

Gen Ideura, Masayuki Hanaoka, Tomonobu Koizumi, Keisaku Fujimoto, Yasuhiro Shimojima, Wataru Ishii, Masayuki Matsuda, Shuichi Ikeda
2007 Respiratory Medicine  
doi:10.1016/j.rmed.2007.01.023 pmid:17353121 fatcat:br5ymifvpbaoldzvlypdblne6i

An ab initio study of Xe–NO(X2II) and Xe–NO(A2Σ+) potential energy surfaces

Juan Carlos Castro-Palacio, Keisaku Ishii, Jesús Rubayo-Soneira, Koichi Yamashita
2011 Procedia Computer Science  
The potential energy surfaces (PESs) of Xe-NO(X 2 ) and Xe-NO(A 2 + ) complexes have been obtained using highly accurate ab initio calculations. Analytical representations of these PESs were obtained using a Legendre polynomial interpolation. In the ground state, the surfaces A and A show two linear wells at short distances (4.0-4.5 Å) with energies between -67 and -135 cm -1 . The surface A , unlike that of A , presents a T-shape well at -85 cm -1 . To evaluate the influence of corrections for
more » ... quadruple excitations on the topology of the Xe-NO(A 2 + ) PES, calculations were performed with and without considering corrections for quadruple excitations. Both surfaces present two linear wells between 4.9 and 6.8 Å but when considering corrections for quadruple excitations the wells are more than twice as deep (-64 and -40 cm -1 ) as when not considering these corrections (-25 and -20 cm -1 ).
doi:10.1016/j.procs.2011.04.121 fatcat:m7fgkabj3bgqrgsypuv3wwnehm

Ab Initio Direct Trajectory Simulation with Nonadiabatic Transitions of the Dissociative Recombination Reaction HCNH++e−→ HNC/HCN + H

Tetsuya Taketsugu, Asami Tajima, Keisaku Ishii, Tsuneo Hirano
2004 Astrophysical Journal  
The dissociative recombination reaction of HCNH þ þ e À via indirect radiative mechanism on relevant excited state potential energy surfaces has been studied to investigate the branching ratio of the products, HNC/ HCN, by using an ab initio direct trajectory method at the state-averaged multiconfigurational self-consistent field level. In trajectory simulations using adiabatic potential energy surfaces, nonadiabatic transitions among the three electronic states of HCNH, i.e., 1 2 Å, 1 2 AE + ,
more » ... and 2 2 AE + , were explicitly treated by Tully's surface-hopping algorithm. We show that HNC and HCN are produced with almost the same ratio from this reaction, supporting the picture that HCNH + plays a significant role as the precursor for both HNC and HCN production in interstellar clouds.
doi:10.1086/386539 fatcat:biqodzw2cjghdfu7jzp2ydt774

Two Cases of Solitary Fibrous Tumor in the Pelvic Space
骨盤内solitary fibrous tumorの2例

Masatsugu ISHII, Junji OKUDA, Masashi YAMAMOTO, Keitaro TANAKA, Keisaku KONDO, Yoshikata KURISU, Motomu TSUJI, Kazuhisa UCHIYAMA
2014 Nihon Rinsho Geka Gakkai Zasshi (Journal of Japan Surgical Association)  
1) , Keisaku KONDO 1) , Yoshikata KURISU 2) , Motomu TSUJI 2) and Kazuhisa UCHIYAMA 1)  ...  Surg Today 2002 ; 32 : 1099-1101 9) Kottke-Marchant K, Hart WR, Broughan T : Lo-CASES OF SOLITARY FIBROUS TUMOR IN THE PELVIC SPACE Masatsugu ISHII 1) , Junji OKUDA 1) , Masashi YAMAMOTO 1) , Keitaro TANAKA  ... 
doi:10.3919/jjsa.75.1443 fatcat:e55zpuommjbvhauoewrvesmwnm

Two Case Reports of Sixteen and Eighteen Multiple Neuro-endocrine Tumors

Masatsugu ISHII, Keitaro TANAKA, Masashi YAMAMOTO, Keisaku KONDO, Yutaro EGASHIRA, Hiroshi AKUTAGAWA, Junji OKUDA, Kazuhisa UCHIYAMA
2016 Nihon Rinsho Geka Gakkai Zasshi (Journal of Japan Surgical Association)  
A 67-year-old man and a 62-year-old man were diagnosed with multiple rectal neuro-endocrine tumors from endoscopic examination. In Case 1, laparoscopic intersphincteric resection and colo-anal anastomosis were performed. In Case 2, laparoscopic super-low anterior resection was performed. Histopathologically, the tumor in Case 1 was confined to the submucosal layer, and showed lymphatic invasion. Case 2 showed venous vessel invasion and lymph node metastasis. Multiple rectal neuro-endocrine
more » ... s are rare, and standard treatments have thus not been defined. Furthermore, according to some reports of neuro-endocrine tumors, the probability of lymph node metastasis is very high. We therefore consider that surgical resection with lymph node dissection should be performed.
doi:10.3919/jjsa.77.1187 fatcat:udtc2kortbaphgip4fpgf7p5oq

Theoretical Elucidation of the Unusually High [HNC]/[HCN] Abundance Ratio in Interstellar Space: Two‐dimensional and Two‐State Quantum Wave Packet Dynamics Study on the Branching Ratio of the Dissociative Recombination Reaction HCNH++e−→ HNC/HCN + H

Keisaku Ishii, Asami Tajima, Tetsuya Taketsugu, Koichi Yamashita
2006 Astrophysical Journal  
In order to elucidate the unusually high [HNC]/[HCN] abundance ratio observed in interstellar space, we have carried out wave packet simulations for the dissociative recombination reaction HCNH þ þ e À ! HNC/ HCN þ H on the two-dimensional potential energy surfaces (PESs) of two dissociative electronic states of HCNH, 1 2 AE + and 2 2 AE + . Two adiabatic PESs of 1 2 AE + and 2 2 AE + have been determined as functions of NH and CH bond lengths for a linear geometry of HCNH with a fixed CN bond
more » ... ength, by the multireference single and double configuration interaction plus Davidson's quadruple excitation correction [MR-SDCI(+Q)] method. The wave packets, generated from the low-lying vibrational eigenstates of HCNH + , have been put initially on the 2 2 AE + adiabatic PES. The resulting branching ratios of [HNC]/[HCN] vary from 0.77 to 1.32, depending on the initial vibrational quantum numbers, which support that HCNH + is the precursor of both HNC and HCN in interstellar space.
doi:10.1086/498343 fatcat:jzkpy3fytjantkshl2o3b7dyoq

Practices of patient-centered team and community medical cares through the development of Home Oxygen Therapy at Nagano Prefecture in Japan

Seiichirou Eda, Keisaku Fujimoto, Masayuki Hanaoka, Keishi Kubo
2016 Nihon Kokyu Kea Rihabiriteshon Gakkaishi  
Kida K, Motegi T, Ishii T, et al.: Long-term oxygen therapy in Japan: history, present status, and current problems. Pneumonol Alergol Pol ₈₁: ₄₆₈-₄₇₈, ₂₀₁₃.  ...  長野市民病院 2010年~北信フライングディスククラブ、それ以前~HOTの会 Practices of patient-centered team and community medical cares through the development of Home Oxygen Therapy at Nagano Prefecture in Japan Seiichirou Eda ₁) , Keisaku  ... 
doi:10.15032/jsrcr.26.2_205 fatcat:hlbb7eouundc5metmf5fhcnu5y


2011 Procedia Computer Science  
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1129 An ab initio study of Xe-NO(X 2 ⌸) and Xe-NO(A 2 Α + ) potential energy surfaces Juan Carlos Castro-Palacio, Keisaku  ...  Ishii, Jesús Rubayo-Soneira and Koichi Yamashita . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1135 Linear-scaling electronic structure calculation program based on divide-and-conquer  ... 
doi:10.1016/s1877-0509(11)00325-5 fatcat:dn2lthsrqrgdvmvgwsh7ef3oh4

List of Posters

1997 Symposium - International astronomical union  
Ishii Chemical dynamics of atom-neutral reactions in the ISM as studied by crossed beam experiments 185 R.I.  ... Zajfman Potential energy surfaces and branching ratio of the dissociative recombination reaction HCNH+ + e" 184 Tsuneo Hirano, Yoko Shiba, Umpei Nagashima, Keisaku  ... 
doi:10.1017/s0074180900009773 fatcat:no65773mpbag5dvwvaie4czvsy

What Gregory Bateson's thought brought about Japanese brief therapy

Hiroaki Matsumoto, Kousuke Ishii, Masafumi Nakamura, Hiroki Nagaishi, Kouhei Sato
2014 International Journal of Brief Therapy and Family Science  
Kousuke Ishii presented the approach of the de-addiction to focus on the part which has already been changed.  ...  Kousuke Ishii In addiction clinical site, there is not little on-site staff who have an awareness that it is hard to associate with alcoholics.  ...  For example, in Kamakura period, Dogen who is the founder of Soto school of Zen Buddhism insisted to stop the practice striking with a 'keisaku' (encouragement stick), which was common in Zen practice  ... 
doi:10.35783/ijbf.4.2_99 fatcat:jthaliobqjbahbvfse6vmjxk2a

Dynamic Measurement of Large Displacement Using Heterodyne Laser Interferometry

Yasuhide TAKAHASHI, Keisaku AKIZUKI, Mataichiro KISO, Seiichi MURASE, Naoki HASEGAWA
1998 Journal of the Japan Society for Precision Engineering  
Ishii, H. Teramoto and K.Iwata : Optical Interferometry for Nanometer Measurement of a Large Step,J. Jpn Soc. Prec. Eng., 28, 1, (1994) 64. 7  ... 
doi:10.2493/jjspe.64.1132 fatcat:kvdazeac7ndcni5cgf44noxz6u

Molecular and electronic structure of TiH2

Takako Kudo, Mark S. Gordon
1995 Journal of Chemical Physics  
Michael Schmidt for valuable discussions and Professor Tsuneo Hirano at Ochanomizu University and Keisaku Ishii at the University of Tokyo for their helpful suggestions.  ... 
doi:10.1063/1.469152 fatcat:amyx6htjtjcshablkekyercdm4

Page 505 of Mathematical Reviews Vol. , Issue Index [page]

Mathematical Reviews  
., 2003d:22013 Ishii, Taku Siegel-Whittaker functions on Sp(2, R) for principal series representations. (English summary) 2003d:22012 King, Donald R.  ...  (English summary) 2003g:22013 — see also Gindikin, Simon, 2003d:22011 Kumahara, Keisaku see Ebata, Mitsuhiko et al., (2003a:17002) Kumar, Shrawan * Kac-Moody groups, their flag varieties and representation  ... 
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