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Toshio WATANABE
Toshio WATANABE
Bestätigte E-Mail-Adresse bei gsic.titech.ac.jp - Startseite
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Zitiert von
Zitiert von
Jahr
Prediction of gas phase thermodynamic function of polychlorinated dibenzo-p-dioxins using DFT
ZY Wang, ZC Zhai, LS Wang, JL Chen, O Kikuchi, T Watanabe
Journal of Molecular Structure: THEOCHEM 672 (1-3), 97-104, 2004
822004
DNA and estrogen receptor interaction revealed by fragment molecular orbital calculations
T Watanabe, Y Inadomi, K Fukuzawa, T Nakano, S Tanaka, L Nilsson, ...
The Journal of Physical Chemistry B 111 (32), 9621-9627, 2007
452007
AB INITIO MO AND MONTE CARLO SIMULATION STUDY ON THE CONFORMATION OF L‐ALANINE ZWITTERION IN AQUEOUS SOLUTION
O Kikuchi, T Watanabe, Y Ogawa, H Takase, O Takahashi
Journal of physical organic chemistry 10 (3), 145-151, 1997
431997
Ab initio GB study of the acid-catalyzed cis–trans isomerization of methyl yellow and methyl orange in aqueous solution
M Azuki, K Morihashi, T Watanabe, O Takahashi, O Kikuchi
Journal of Molecular Structure: THEOCHEM 542 (1-3), 255-262, 2001
262001
Parallel Fock matrix construction with distributed shared memory model for the FMO‐MO method
H Umeda, Y Inadomi, T Watanabe, T Yagi, T Ishimoto, T Ikegami, ...
Journal of computational chemistry 31 (13), 2381-2388, 2010
252010
Monte Carlo simulation study on the conformation and interaction of the glycine zwitterion in aqueous solution
T Watanabe, K Hashimoto, H Takase, O Kikuchi
Journal of Molecular Structure: THEOCHEM 397 (1-3), 113-119, 1997
231997
Fragment molecular orbital (FMO) and FMO-MO calculations of DNA: accuracy validation of energy and interfragment interaction energy
T Watanabe, Y Inadomi, H Umeda, K Fukuzawa, S Tanaka, T Nakano, ...
Journal of Computational and Theoretical Nanoscience 6 (6), 1328-1337, 2009
212009
Ab initio GB study of prebiotic synthesis of purine precursors from aqueous hydrogen cyanide: dimerization reaction of HCN in aqueous solution
O Kikuchi, T Watanabe, Y Satoh, Y Inadomi
Journal of Molecular Structure: THEOCHEM 507 (1-3), 53-62, 2000
172000
DFT study of tetrachlorinated dibenzo-p-dioxins
ZY Wang, YC Wu, K Osamu, W Toshio
ACTA CHIMICA SINICA-CHINESE EDITION- 61 (6), 840-845, 2003
162003
Calculation of systematic set of bond dissociation enthalpies of polyhalogenated benzenes
T Watanabe, ZY Wang, O Takahashi, K Morihashi, O Kikuchi
Journal of Molecular Structure: THEOCHEM 682 (1-3), 63-72, 2004
152004
A hybrid parallel method for large sparse eigenvalue problems on a grid computing environment using Ninf-G/MPI
T Sakurai, Y Kodaki, H Umeda, Y Inadomi, T Watanabe, U Nagashima
International Conference on Large-Scale Scientific Computing, 438-445, 2005
112005
CP violating effects in Fr and prospects for new physics beyond the Standard Model
N Shitara, N Yamanaka, BK Sahoo, T Watanabe, BP Das
Journal of High Energy Physics volume 2021, Article number: 124 (2021) https …, 2021
102021
Ab Initio MO-MD Simulation Based on the Fragment MO Method. A Case of (−)-Epicatechin Gallate with STO-3G Basis Set
K Tamura, T Watanabe, T Ishimoto, U Nagashima
Bulletin of the Chemical Society of Japan 81 (1), 110-112, 2008
62008
Hartree–Fock and density functional theory calculations for the reaction mechanism of nitric oxide reductase cytochrome P450nor from Fusarium oxysporum
K Tsukamoto, T Watanabe, U Nagashima, Y Akiyama
Journal of Molecular Structure: THEOCHEM 732 (1-3), 87-98, 2005
62005
FMO-MO 法における大規模分子軌道計算: 解くべき固有値問題の特徴 (< 特集> 行列・固有値問題における線形計算アルゴリズムとその応用)
稲富雄一, 梅田宏明, 渡邊寿雄, 櫻井鉄也, 長嶋雲兵
日本応用数理学会論文誌 15 (2), 169-179, 2005
62005
A master-worker type eigensolver for molecular orbital computations
T Sakurai, Y Kodaki, H Tadano, H Umeda, Y Inadomi, T Watanabe, ...
International Workshop on Applied Parallel Computing, 617-625, 2006
52006
Reaction space map representation of the chlorination/dechlorination reactions of polychlorobenzenes
ZY Wang, T Watanabe, O Takahashi, K Morihashi, O Kikuchi
Journal of chemical information and computer sciences 42 (2), 284-289, 2002
52002
A New Method of Determining the Nonempirical Potential Functions Application to an Ionic Fragmentation Reaction of tert-butyl Chloride in Aqueous Solution
T Watanabe, O Kikuchi
The Journal of Physical Chemistry A 104 (33), 7840-7846, 2000
52000
大規模固有値問題の master-worker 型並列解法
櫻井鉄也, 多田野寛人, 早川賢太郎, 佐藤三久, 高橋大介, 長嶋雲平, ...
情報処理学会論文誌コンピューティングシステム (ACS) 46 (SIG7 (ACS10)), 44-51, 2005
42005
Parity-violating energy for the chirality-producing step in Strecker synthesis of l-alanine
T Kitayama, T Watanabe, O Takahashi, K Morihashi, O Kikuchi
Journal of Molecular Structure: THEOCHEM 584 (1-3), 89-94, 2002
42002
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