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Kazuya Ishimura
Kazuya Ishimura
X-ability, Co., Ltd.
Bestätigte E-Mail-Adresse bei x-ability.jp - Startseite
Titel
Zitiert von
Zitiert von
Jahr
SALMON: Scalable Ab-initio Light–Matter simulator for Optics and Nanoscience
M Noda, SA Sato, Y Hirokawa, M Uemoto, T Takeuchi, S Yamada, ...
Computer Physics Communications 235, 356-365, 2019
962019
Dilithioplumbole: A lead-bearing aromatic cyclopentadienyl analog
M Saito, M Sakaguchi, T Tajima, K Ishimura, S Nagase, M Hada
Science 328 (5976), 339-342, 2010
902010
Accuracy of the three‐body fragment molecular orbital method applied to Møller–Plesset perturbation theory
DG Fedorov, K Ishimura, T Ishida, K Kitaura, P Pulay, S Nagase
Journal of Computational Chemistry 28 (9), 1476-1484, 2007
842007
The aromaticity of the stannole dianion
M Saito, R Haga, M Yoshioka, K Ishimura, S Nagase
Angewandte Chemie International Edition 44 (40), 6553-6556, 2005
792005
First-principles computational visualization of localized surface plasmon resonance in gold nanoclusters
K Iida, M Noda, K Ishimura, K Nobusada
The Journal of Physical Chemistry A 118 (47), 11317-11322, 2014
752014
A new parallel algorithm of MP2 energy calculations
K Ishimura, P Pulay, S Nagase
Journal of computational chemistry 27 (4), 407-413, 2006
682006
Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand
K Akiba, Y Moriyama, M Mizozoe, H Inohara, T Nishii, Y Yamamoto, ...
Journal of the American Chemical Society 127 (16), 5893-5901, 2005
662005
C72 isomers: The IPR-satisfying cage is disfavored by both energy and entropy
Z Slanina, K Ishimura, K Kobayashi, S Nagase
Chemical physics letters 384 (1-3), 114-118, 2004
662004
Analytic energy gradient for second-order Møller-Plesset perturbation theory based on the fragment molecular orbital method
T Nagata, DG Fedorov, K Ishimura, K Kitaura
The Journal of chemical physics 135 (4), 044110, 2011
532011
Massively-parallel electron dynamics calculations in real-time and real-space: Toward applications to nanostructures of more than ten-nanometers in size
M Noda, K Ishimura, K Nobusada, K Yabana, T Boku
Journal of Computational Physics 265, 145-155, 2014
462014
New parallel algorithm for MP2 energy gradient calculations
K Ishimura, P Pulay, S Nagase
Journal of computational chemistry 28 (12), 2034-2042, 2007
442007
Ionized and excited states of ferrocene: Symmetry adapted cluster–configuration–interaction study
K Ishimura, M Hada, H Nakatsuji
The Journal of chemical physics 117 (14), 6533-6537, 2002
382002
Double aromaticity arising from σ-and π-rings
S Furukawa, M Fujita, Y Kanatomi, M Minoura, M Hatanaka, K Morokuma, ...
Communications Chemistry 1 (1), 1-7, 2018
332018
Synthesis, structure, and reaction of tetraethyldilithiostannole
M Saito, T Kuwabara, C Kambayashi, M Yoshioka, K Ishimura, S Nagase
Chemistry letters 39 (7), 700-701, 2010
332010
MPI/OpenMP hybrid parallel algorithm for hartree− fock calculations
K Ishimura, K Kuramoto, Y Ikuta, S Hyodo
Journal of Chemical Theory and Computation 6 (4), 1075-1080, 2010
292010
Dichlorocarbene Addition to C60 from the Trichloromethyl Anion: Carbene Mechanism or Bingel Mechanism?
X Gao, K Ishimura, S Nagase, Z Chen
The Journal of Physical Chemistry A 113 (15), 3673-3676, 2009
272009
Synthesis of stannaindenyl anions and a dianion
M Saito, M Shimosawa, M Yoshioka, K Ishimura, S Nagase
Organometallics 25 (12), 2967-2971, 2006
272006
How Can We Understand Au8 Cores and Entangled Ligands of Selenolate- and Thiolate-Protected Gold Nanoclusters Au24(ER)20 and Au20(ER)16 (E = Se, S …
N Takagi, K Ishimura, M Matsui, R Fukuda, T Matsui, T Nakajima, M Ehara, ...
Journal of the American Chemical Society 137 (26), 8593-8602, 2015
262015
Synthesis and structure of pentaorganostannate having five carbon substituents
M Saito, S Imaizumi, T Tajima, K Ishimura, S Nagase
Journal of the American Chemical Society 129 (36), 10974-10975, 2007
252007
Catalysis of Cu cluster for NO reduction by CO: theoretical insight into the reaction mechanism
N Takagi, K Ishimura, H Miura, T Shishido, R Fukuda, M Ehara, S Sakaki
ACS omega 4 (2), 2596-2609, 2019
242019
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