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Kazuo Kitaura

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2008
10EEMahito Chiba, Dmitri G. Fedorov, Kazuo Kitaura: Polarizable continuum model with the fragment molecular orbital-based time-dependent density functional theory. Journal of Computational Chemistry 29(16): 2667-2676 (2008)
2007
9EEDmitri G. Fedorov, Kazuo Kitaura: Pair interaction energy decomposition analysis. Journal of Computational Chemistry 28(1): 222-237 (2007)
8EEYuto Komeiji, Toyokazu Ishida, Dmitri G. Fedorov, Kazuo Kitaura: Change in a protein's electronic structure induced by an explicit solvent: An ab initio fragment molecular orbital study of ubiquitin. Journal of Computational Chemistry 28(10): 1750-1762 (2007)
7EEDmitri G. Fedorov, Kazuya Ishimura, Toyokazu Ishida, Kazuo Kitaura, Peter Pulay, Shigeru Nagase: Accuracy of the three-body fragment molecular orbital method applied to Møller-Plesset perturbation theory. Journal of Computational Chemistry 28(9): 1476-1484 (2007)
2006
6EEDmitri G. Fedorov, Kazuo Kitaura, Hui Li, Jan H. Jensen, Mark S. Gordon: The polarizable continuum model (PCM) interfaced with the fragment molecular orbital method (FMO). Journal of Computational Chemistry 27(8): 976-985 (2006)
2005
5EETsutomu Ikegami, Toyokazu Ishida, Dmitri G. Fedorov, Kazuo Kitaura, Yuichi Inadomi, Hiroaki Umeda, Mitsuo Yokokawa, Satoshi Sekiguchi: Full Electron Calculation Beyond 20, 000 Atoms: Ground Electronic State of Photosynthetic Proteins. SC 2005: 10
4EETadashi Nemoto, Dmitri G. Fedorov, Masami Uebayasi, Kenji Kanazawa, Kazuo Kitaura, Yuto Komeiji: Ab initio fragment molecular orbital (FMO) method applied to analysis of the ligand-protein interaction in a pheromone-binding protein. Computational Biology and Chemistry 29(6): 434-439 (2005)
3EEKaori Fukuzawa, Kazuo Kitaura, Masami Uebayasi, Kotoko Nakata, Tsuguchika Kaminuma, Tatsuya Nakano: Ab initio quantum mechanical study of the binding energies of human estrogen receptor with its ligands: An application of fragment molecular orbital method. Journal of Computational Chemistry 26(1): 1-10 (2005)
2004
2EEDmitri G. Fedorov, Ryan M. Olson, Kazuo Kitaura, Mark S. Gordon, Shiro Koseki: A new hierarchical parallelization scheme: Generalized distributed data interface (GDDI), and an application to the fragment molecular orbital method (FMO). Journal of Computational Chemistry 25(6): 872-880 (2004)
2001
1EEYuichi Inadomi, Tatsuya Nakano, Kazuo Kitaura, Umpei Nagashima: Increased Efficiency of Parallel Calculations of Fragment Molecular Orbitals by Using Fine-Grained Parallelization on a HITACHI SR8000 Supercomputer. HPCN Europe 2001: 569-572

Coauthor Index

1Mahito Chiba [10]
2Dmitri G. Fedorov [2] [4] [5] [6] [7] [8] [9] [10]
3Kaori Fukuzawa [3]
4Mark S. Gordon [2] [6]
5Tsutomu Ikegami [5]
6Yuichi Inadomi [1] [5]
7Toyokazu Ishida [5] [7] [8]
8Kazuya Ishimura [7]
9Jan H. Jensen [6]
10Tsuguchika Kaminuma [3]
11Kenji Kanazawa [4]
12Yuto Komeiji [4] [8]
13Shiro Koseki [2]
14Hui Li [6]
15Shigeru Nagase [7]
16Umpei Nagashima [1]
17Tatsuya Nakano [1] [3]
18Kotoko Nakata [3]
19Tadashi Nemoto [4]
20Ryan M. Olson [2]
21Peter Pulay [7]
22Satoshi Sekiguchi [5]
23Masami Uebayasi [3] [4]
24Hiroaki Umeda [5]
25Mitsuo Yokokawa [5]

Copyright © Sun May 17 03:24:02 2009 by Michael Ley (ley@uni-trier.de)