List of Pablication
in 2017

K. Kawaguchi, S. Nakagawa, I. Kurniawan, K. Kodama, M.S. Arwansyah, and H. Nagao, “A coarsegrained model of the effective interaction for charged amino acid residues and its application to formation of GCN4pLI tetramer", Mol. Phys. 116,649657 (2018) [doi]

S. Nakagawa, I. Kurniawan, K. Kodama, M.S. Arwansyah, K. Kawaguchi, H. Nagao, “Theoretical study on interaction of cytochrome f and plastocyanin complex by a simple coarsegrained model with molecular crowding effect", Mol. Phys. 116,666677 (2018) [doi]
in 2016

K. Kawaguchi, S. Nakagawa, S. Kinoshita, M. Wada, H. Saito, and H. Nagao, “A simple coarsegrained model for interacting protein complex”, Mol. Phys.,115,587597 (2017) [doi]
in 2014

K. Kawaguchi, H. Saito, and H. Nagao, “Decomposition analysis of free energy profile for Hsp90ADP association”, Mol. Sim., 42 (2015) 896.

M. Iwayama, I. Kurniawan, K. Kawaguchi, H. Saito, and H. Nagao, “A hybridtype approach with MD and DFT calculations for evaluation of redox potential of molecules”, Mol. Sim., 41 (2015) 10.
in 2013

K. Kawaguchi, H. Saito and H. Nagao, "Molecular Dynamics Study of Hsp90 and ADP: Hydrogen Bond Analysis for ADP Dissociation", JPS Conference Proceedings, 1, 012056, (2014). [doi]

T. Miyakawa, R. Morikawa, M. Takasu, K. Sugimori, K. Kawaguchi, H. Saito, and H. Nagao, "Analysis of water molecules around GTP in HrasGTP complex and GDP in HrasGDP complex by molecular dynamics simulations", Mol. Phys., 112, 526532, (2014). [doi]
in 2012

K. Kawaguchi, H. Saito, S. Okazaki and H. Nagao, "Moolecular dynamics study on the free energy profile for dissociation of ADP from Nterminal domain of Hsp90", Chem. Phys. Lett., 588 , 226230, (2013). [doi]

T. Miyakawa, R. Morikawa, M. Takasu, K. Sugimori, K. Kawaguchi, H. Saito and H. Nagao, "Moolecular Dynamics Simulations of the HrasGTP complex and the HrasGDP complex", Int. J. Quant. Chem., 113 , 23332337, (2013). [doi]
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H. Saito, M. Iwayama, T. Mizukami, J. Kang, M. Tateno and H. Nagao, "Molecular dynamics study on binding free energy of AzurinCytochrome c551 complex", Chem. Phys. Lett., 556, 297302, (2013). [doi]

Y. Andoh, N. Yoshii, K. Fujimoto, K. Mizutani, H.Kojima, A. Yamada, S. Okazaki, K. Kawaguchi, H. Nagao, K. Iwahashi, F. Mizutani, K. Minami, S. Ichikawa, H. Komatsu, S. Ishizuki, Y. Takeda and M. Fukushima "MODYLAS: A Highly Parallelized GeneralPurpose Molecular Dynamics Simulation Program for LargeScale Systems with LongRange Forces Calculated by Fast Multipole Method(FMM) and Highly Scalable FineGrained New Parallel Processing Algorithms", J. Chem. Theory Comput, 9, 32013209, (2013). [doi]

I. Kurniawan, H. Saito, K. Kawaguchi and H. Nagao, "Computational Study of Oxidation Potential of Ketone Molecule", Recent Development in Computational Science, 4, 4552, (2013).

M. Iwayama, K. Kawaguchi, H. Saito and H. Nagao, "Structure and Hydration Free Energy of Ketone Compound in Neutral and Cationic State by Molecular Dynamics Simulation", Recent Development in Computational Science, 4, 5970, (2013).

M. T. Pakpahan, H. Saito, K. Kawaguchi and H. Nagao, "Binding Free Energy of ProteinLigand by Combining Docking and MD Simulation: A Comparison of Calculation Methods”, Recent Development in Computational Science, 4, 7178, (2013).

M. Rusmerryani, M. Takasu, K. Kawaguchi, H. Saito and H Nagao, "Coarsegrained Simulation of Azurin Crystal Complex System: Proteinprotein Interactions", Recent Development in Computational Science, 4, 7986, (2013).

M. Koyimatu, H. Shimahara, K. Kawaguchi, H. Saito, K. Sugimori and H. Nagao, "Theoretical study of a πstacking interaction in carbonic anhydrase", Recent Development in Computational Science, 4, 8794, (2013).

T. Miyakawa, R. Morikawa, M. Takasu, A. Dobashi, K. Sugimori, K. Kawaguchi, H. Saito and Hidemi Nagao, "Analysis of water molecules in the HrasGTP and GDP complexes with molecular dynamics simulations”, Progress in Theoretical Chemistry and Physics, 27, 351360, (2013). [doi]

H. Saito, M. Nishimura, H. Takagi, T. Miyakawa, K. Kawaguchi and H. Nagao, "Molecular Dynamics Study of Electrostatic Potential along Lipid Bilayer with Gramicidin A”, AIP Conf. Proc., 1518, 633636, (2013). [doi]

M. T. Pakpahan, M. Rusmerryani, K. Kawaguchi, H. Saito and H. Nagao, "Evaluation of scoring functions for proteinligand docking”, AIP Conf. Proc., 1518, 645648, (2013). [doi]

M. Rusmerryani, M. T. Pakpahan, M. Nishimura, M. Takasu, K. Kawaguchi, H. Saito and H. Nagao, "Transition State Analysis of Azurin via Golike Model", AIP Conf. Proc., 1518, 641644, (2013). [doi]

H. Nagao, S. Kawamoto, M. Rusmerryani, A. Purqon, K. Kawaguchi and H. Saito, "Molecular Dynamics Study on Entrainment Phenomenon in Model Molecular Systems", AIP Conf. Proc., 1518, 729732, (2013). [doi]

M. Nishimura, H. Saito, K. Kawaguchi and H. Nagao, "Conformational Stability of Met20 Loop of DHFR:A molecular Dynamics Study", AIP Conf. Proc., 1518, 654657, (2013). [doi]

K. Kawaguchi, H. Takagi, M. Takasu, H. Saito and H. Nagao, "Molecular dynamics studies of Hsp90 with ADP: proteinligand binding dynamics", AIP Conf. Proc., 1518, 637640, (2013). [doi]

M. Koyimatu, H. Shimahara, M. Iwayama, K. Sugimori, K. Kawaguchi, H. Saito and H. Nagao, "Theoretical Model for Assessing Properties of Local Structures in Metalloprotein", AIP Conf. Proc. 1518, 626629, (2013). [doi]

T. Miyakawa, R. Morikawa, M. Takasu, K. Sugimori, K. Kawaguchi, H. Saito and H. Nagao, "A molecular dynamics study of HrasGTP and GDP complexes: the properties of water molecules around guanine nucleotide”, AIP Conf. Proc., 1518, 594597, (2013). [doi]
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in 2012

T. Mizukami, H. Saito, S. Kawamoto, T. Miyakawa, M. Iwayama, M. Takasu and H. Nagao, "Solvation Effect on the Structural Change of a Globular Protein: A Molecular Dynamics Study", Int. J. Quant. Chem., 112, 344350, (2012). [doi]

H. Saito, T. Mizukami, S. Kawamoto, T. Miyakawa, M. Iwayama, M. Takasu and H. Nagao, "Molecular Dynamics Studies of Lipid Bilayer With Gramicidin A: Effects of Gramicidin A on Membrane Structure and Hydrophobic Match", Int. J. Quant. Chem., 112, 161170, (2012). [doi]
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S. Kawamoto, M. Takasu, T. Miyakawa, R. Morikawa, T. Oda, S. Futaki and H. Nagao, "Binding of Tat peptides on DOPC and DOPG lipid bilayer membrane studied by molecular dynamics simulations", Molecular Simulation, 38, 366368, (2012). [doi]

S. Kawamoto, T. Miyakawa, M. Takasu, R. Morikawa, T. Oda, H. Saito, S. Futaki and H. Nagao, "CellPenetrating Peptide Induces Various Deformations of Lipid Bilayer Membrane: Inverted Micelle, Double Bilayer and Transmembrane", Int. J. Quant. Chem., 112, 178183, (2012). [doi]

K. Kawaguchi, H. Takagi, M. Iwayama, T. Miyakawa, H. Saito, M.Takasu and H. Nagao, "Molecular dynamics analyses of the dissociation process of ADP from Hsp90", Int. J. Quant. Chem., 112, 37913795, (2012). [doi]

H. Saito, M. Iwayama, H. Takagi, M. Nishimura, T. Miyakawa, K. kawaguchi, M. Takasu, T. Mizukami and H. Nagao, "Molecular dynamics study of gramicidin a in lipid bilayer: Structure and lateral pressure profile", Int. J. Quant. Chem., 112, 38343839, (2012). [doi]

T. Miyakawa, R. Morikawa, M. Takasu, K. Sugimori, K. Kawaguchi, H. saito and H. Nagao, "The potentials of the atoms aroung Mg2+ in the Hras GTP complex and in the Hras GDP complex", Progress in Theoretical Chemistry and Physics,26, 525543, (2012). [doi].

S. Kawamoto, M. Takasu, T. Miyakawa, T. Oda, H. Saito, S. Futaki, H. Nagao and W. Shinoda, "Free energy of cellpenetrating peptide through lipid bilayer membrane: coarsegrained model simulation", Progress in Theoretical Chemistry and Physics, 26, 503511, (2012). [doi]

Y. Omae, H. Saito, H. Takagi, M. Nishimura, M. Iwayama, K. Kawaguchi and H. Nagao, "Molecular Dynamics Study of Glutathione Stransferase: Structure and Binding Character of Glutathione", Progress in Theoretical Chemistry and Physics, 26, 545553, (2012). [doi]

M. Rusmerryania, GS. Wulandaria, S. Kawamoto, H. Saito,K. Nishikawa and H. Nagao, "Molecular Dynamics Studies on Structure and Dynamics of Spherical Micelles", Recent Development in Computational Science,2, 5968, (2012).

GS. Wulandari, M. Rusmerryani, S. Kawamoto, H. Saito, K. Nishikawa and H. Nagao, "Temperature Effects on Dynamics of Spherical Micelles : A Molecular Dynamics Study", Recent Development in Computational Science, 2, 6977, (2012).
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in 2011

S. Kawamoto, M. Takasu, T. Miyakawa, R. Morikawa, T. Oda, S. Futaki and H. Nagao, "Inverted micelle formation of cellpenetrating peptide studied by coarsegrained simulation: Importance of attractive force between cellpenetrating peptides and lipid head group", J. Chem. Phys, 134, 095103095108, (2011). [doi]

H. Saito and W. Shinoda, "Cholesterol Effect on Water Permeability through DPPC and PSM Lipid Bilayers: A Molecular Dynamics Study", J.Phys.Chem.B, 115, 1524115250, (2011). [doi]
in 2010

H. Saito, N. Matubayasi, K. Nishikawa and H. Nagao, "Hydration property of globular proteins: An analysis of solvation free energy by energy representation method", Chem. Phys. Lett., 497, 218222, (2010). [doi]

Y. Hashimoto, Masako Takasu, Shuhei Kawamoto, Tatsuki Oda, Hidemi Nagao, T. Sakai and U. Chung "Structure and dynamics of tetraPEG gel by Brownian dynamics", Trans. Mat. Res. Soc. Japan, 35, 547553, (2010).
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S. Nurbaiti, H. Nagao, H. Saito, R. Hertadi, MA. Martoprawiro and Akhmaloka, "Domain motions of Klenowlike DNA polymerase I ITB1 in the absence of substrate", Int. J. Integ. Bio, 9, 104110, (2010). [doi]
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in 2009

T. Ohta, Y. Hagiwara, J. Kang, K. Nishikawa, T. Yamamoto, H. Nagao and M. Tateno, "Evaluation of Electronic and Geometrical Properties of the Blue Copper Site in Fully Solvated Azurin by QM/MM Hybrid Calculations Using a New Interface Program Connecting QM and MM Engines", J. Comput. Theor. Nanosci, 6, 26482655, (2009). [doi]

P. Acep, T. Yamamoto, K. Nishikawa, H. Nagao and K. Nishikawa, "Effects of Salty Water and Temperature on Shape Fluctuations of a Few Correlated Phospholipids", Prog. Theor. Phys. Supplement, 178, 187192, (2009). [doi]
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T.V.B. Phung, T. Hashimoto, K. Nishikawa and H. Nagao, "Theoretical Studies on Ionization Potential of Aluminum Clusters", Int. J. Quant. Chem, 109, 36023612, (2009). [doi]

K. Sugimori, H. Kawabe, H. Nagao and K. Nishikawa, "Ab Initio and DFT Study of ^{31}PNMR Chemical Shifts of Sphingomyelin and Dihydrosphingomyelin Lipid Molecule", Int. J. Quant. Chem, 109, 36853693, (2009). [doi]

A. Tawada, K. Sugimori, M. Sano, S. Taniguchi, H. Nagao and K. Nishikawa,"Laser Control of Photodissociation Process in Diatomic Molecule", Int. J. Quant. Chem, 109, 34163422, (2009). [doi]

S. Tsuzuki, W. Shinoda, H. Saito, M. Mikami, H. Tokuda and M. Watanabe, "Molecular Dynamics Simulations of Ionic Liquids: Cation and Anion Dependence of SelfDiffusion Coefficients of Ions", J. Phys. Chem. B, 113, 1064110649, (2009). [doi]

A. Purqon and H. Nagao, "Fuzzy cluster modes in micellar dynamics", Journal of Molecular Liquids, 147, 1723, (2009). [doi]

R. Fujiwara, M. Nakajima, T. Yamamoto, H. Nagao and T. Yokoi, "In silico and in vitro Approaches to Elucidate the Thermal Stability of Human UDPglucuronosyltransferase (UGT) 1A9", Drug Metabolism and Pharmacokinetics, 24, 235244, (2009). [doi]

K. Jiyoung, T. Ohta, Y. Hagiwara, K. Nishikawa, T. Yamamoto, H. Nagao and M. Tateno, "Electronic and geometric structures of the blue copper site of azurin investigated by QM/MM hybrid calculations", J. Phys. Condens. Matter, 21, 064235, (2009). [doi]

H. Saito, W. Shinoda and M. Mikami, "Fluorination effects on structure and dynamics of phospholipid bilayer: A molecular dynamics study", Chem. Phys. Lett, 468, 260263, (2009). [doi]
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in 2008

T.V.B. Phung, K. Nishikawa and H. Nagao, "Theoretical Studies on Stable Structure and Noncollinear Magnetism of Aluminum Clusters", AIP Conference Proceedings, 1046, 6467, (2008). [doi]

A. Purqon, A. Sugiyama, H. Nagao, M. Takasu and K. Nishikawa, "Geometrical Classification of SpagettiLike Nanoclusters", AIP Conference Proceedings, 982, 331336, (2008). [doi]
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K. Nishikawa, T. Yamamoto, A. Sugiyama, A. Purqon, T. Mizukami, H. Shimahara, H. Nagao and K. Nishikawa, "Free Energy Calculation of Docking Structure of Azurin(I)Cytochrome c_{551}(III) Complex Systems by Using The Energetic Representation", AIP Conference Proceedings, 982, 780783, (2008). [doi]

T. Yamamoto, K. Nishikawa, A. Sugiyama, A. Purqon, T. Mizukami, H. Shimahara, H. Nagao and K. Nishikawa, "Theoretical Study of Free Energy in Docking Stability of Azurin(II)Cytochrome c_{551}(II) Complex System", AIP Conference Proceedings, 982, 784787, (2008). [doi]

H. Saito, W. Shinoda and M. Mikami, "Enhanced Hydrophobicity of Fluorinated Lipid Bilayer: A Molecular Dynamics Study", J. Phys. Chem. B, 112, 11305, (2008). [doi]
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in 2007

T. Oda, K. Sugimori, H. nagao, I. Hamada, S. Kagayama, M. Geshi, H. Nagara, K. Kusakabe and N. Suzuki, "Oxygen at high pressures: a theoretical approach to monoatomic phases", J. Phys.: Condents. Matter, 19, 365211, (2007). [doi]

A. Purqon, A. Sugiyama, H. Nagao and K. Nishikawa, "Aperture, symmetry, isotropy, and compactness analysis and their correlation in spaghettilike nanostructure dynamics", Chem. Phys. Lett, 443, 356363, (2007). [doi]
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K. Yamaguchi, Y. Kitagawa, S. Yamanaka, D. Yamaki, T.kawakami, M. Okumura, H. Nagao and S.P. Kruchinin, "FIRST PRINCIPAL CALCULATIONS OF EFFECTIVE EXCHANGE INTEGRALS FOR COPPER OXIDES AND ISOELECTRONIC SPECIES", Electron Correlation in New Materials and Nanosystems, 241, 223233, (2007). [doi]

H. Kawabe, H. Nagao and S.P. Kruchinin, "EXACT SOLUTION OF TWOBAND SUPERCONDUCTIVITY IN ULTRASMALL GRAINS", Electron Correlation in New Materials and Nanosystems, 241, 129139, (2007). [doi]

H. Nagao, H. Kawabe and S.P. Kruchinin, "NANOSIZE TWOGAP SUPERCONDUCTIVITY", Electron Correlation in New Materials and Nanosystems, 241, 117127, (2007). [doi]

K. Nishikawa, K. Sugimori and H. Nagao, "Laser Control of Photoassociation in Reaction O+H → OH", AIP Conference Proceedings, 963, 843846, (2007). [doi]

A. Sugiyama, K. Nishikawa, T. Yamamoto, A. Purqon, K. Nishikawa and H. Nagao, "Theoretical Studies on Docking Dynamics and Electronic Structure in Matalloprotein Complexes", AIP Conference Proceedings, 963, 322325, (2007). [doi]
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in 2006

D.H. Chi, N.T. Cuong, N.A. Tuan, YT. Kim, H.T. Bao, T. Mitani, T. Ozaki and H. Nagao, "Electronic structures of Pt clusters adsorbed on (5, 5) single wall carbon nanotube", Chem. Phys. Lett, 432 ,213217, (2006). [doi]

A. Sugiyama, Y Takamatsu, K. Nishikawa, H. Nagao and K. Nishikawa, "Docking Stability and Electronic Structure of AzurinCytochrome c_{551} Complex System", Int. J. Quant. Chem, 106, 30713078, (2006). [doi]
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K. Sugimori, T. Ito, Y. Takata, K. Ichitani, H. Nagao and K. Nishikawa,"Theoretical Study of the Dissociation Process by Multiphoton Absorption in the Diatomic Molecule", Int. J. Quant. Chem, 106, 30793086, (2006). [doi]

H. Nagao and H. Kawabe, "Theoretical Studies of the Effect of Pair Scattering Process on TwoGap Superconductivity in Eliashberg Theory", Int. J. Quant. Chem., 106, 30483055, (2006).[doi]

Y. Takamatsu, A. Sugiyama, A. Purqon, H. Nagao and K. Nishikawa, "Binding Free Energy Calculation and Structural Analysis for AntigenAntibody Complex", AIP Conference Proceedings, 832, 566569, (2006). [doi]

A. Sugiyama, Y. Takamatsu, A. Purqon, T. Mizukami, H. Nagao and K. Nishikawa, "Molecular Dynamics Study of Hydration Water Behavior in Blue Copper Protein", AIP Conference Proceedings, 832, 570573, (2006). [doi]

A. Purqon, A. Sugiyama, Y. Takamatsu, H. Nagao and K. Nishikawa, "A Method of Classification and Recognition of Blue Copper Protein", AIP Conference Proceedings 832, 574577, (2006). [doi]

K. Yamaguchi, M. Nakano, H. Nagao, M. Okumura, S. Yamanaka, T. Kawakami, S. Yamada, D. Yamaki, Y. Kitagawa, R. Takeda and H. Nitta, "Nband Hubbard Models. III. BosonFermion and InteractionBoson Models for HighT_{c} Superconductivity", Int. J. Quant. Chem, 106, 10521075, (2006). [doi]
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in 2005

T. Ito, K. Sugimori, H. Nagao and K. Nishikawa, "Laser control of singlettriplet transition in molecules by lightinduced potentials", Proceedings of Regional Symposium on Chemical Engineering 2005, 131135, (2005).

H. Nagao and H. Kawabe, "Theoretical Studies on Effective Interactions in TwoBand System", Int. J. Quant. Chem, 105, 571579, (2005). [doi]
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A. Sugiyama, K. Sugimori, T. Shuku, T. Nakamura, H. Saito, H. Nagao, H. Kawabe and K. Nishikawa, "Electronic Structure of the Active Site With Two Configrations of Azurin", Int. J. Quant. Chem, 105, 588595, (2005). [doi]

K. Sugimori, T. Ito, H. Nagao and K. Nishikawa, "Theoretical Study of Multiphoton Processes in Diatomic Molecules", Int. J. Quant. Chem., 105, 596604, (2005). [doi]

A. Oda, H. Nagao, Y. Kitagawa, Y. Shigeta, M. Shoji, H. Nitta, M. Okumura and K. Yamaguchi, "Search for the Ground States of Ising Spin Clusters by Using the Genetic Algorithms", Int. J. Quant. Chem, 105, 645654, (2005). [doi]

H. Nagao, "Spin susceptibility in manyband system", Polyhedron, 24, 23892395, (2005). [doi]

T. Oda, H. Nagao, A. Sugiyama and K. Wada, " Electronic structure and magnetism at the active site in ferredoxin: Ab initio approach to (Fe_{2}S_{2})^{2+} complex with the 1st peptide shell", Polyhedron, 24, 25502556, (2005). [doi]

K. Sugimori, T. Shuku, A. Sugiyama, H. Nagao, T. Sakurai and K. Nishikawa, "Solvent effects on electronic structure of active site of azurin by polarizable continuum model", Polyhedron, 24, 26712675, (2005) [doi]

T. Shuku, K. Sugimori, A. Sugiyama, H. Nagao, T. Sakurai and K. Nishikawa, "Molecular orbital analysis of active site of oxidized azurin: Dependency of electronic properties on molecular structure", Polyhedron, 24, 26652670, (2005). [doi]

T. Ito, K. Sugimori, H. Nagao and K. Nishikawa, "Laser control of singlettriplet transition in molecules", Polyhedron, 24, 27262731, (2005). [doi]

K. Nishikawa, T. Ito, K. Sugimori, Y. Ohta and H. Nagao, "Laser Control of Proton Motion in Porphyrin Derivative", Int. J. Quant. Chem, 102, 665672, (2005). [doi]
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in 2004

H. Nagao, "Theoretical Studies on ManyBand Effects in Superconductivity and Magnetism", Int. J. Quant. Chem, 100, 867876, (2004). [doi]

T. Ito, T. Yoshimoto, Y. Ohta, H. Kawabe, H. Nagao and K. Nishikawa, "Formulation and Numerical Approach to Molecular Systems by the Green Function Method without BornOppenheimer AApproximation II: NucleusElectron Correlation", Int. J. Quant. Chem, 100, 918926, (2004). [doi]
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S. Yamanaka, D. Yamaki, R. Takeda, H. Nagao and K. Yamaguchi, "JModel for Magnetism and Superconductivity of Triangular, Kagome, and Related Spin Lattice Systems", Int. J. Quant. Chem, 100, 11791196, (2004). [doi]

S. Nakano, Y. Kitagawa, T. Kawakami, M. Okumura, H. Nagao and K. Yamaguchi, "Theoretical Studies on Electronic States of RhC_{60}. Possibility of a Roomtemperature Organic Ferromagnet", Molecules, 9, 792807, (2004). [doi]

H. Saito, A. Sugiyama, T. Yoshimoto, H. Nagao, T. Sakurai and K. Nishikawa, "Theoretical Study on Local Backbone Dynamics of Cupredoxin", AIP conference proceedings, 708, 360361, (2004). [doi]

A. Sugiyama, H. Saito, T. Yoshimoto, H. Nagao, T. Sakurai and K. Nishikawa, "Theoretical Study on Vibrational Dynamics of Cupredoxin", AIP conference proceedings, 708, 362363, (2004). [doi]

K. Sugiyama, T. Yamaguchi, I. Sakamoto, T. Yoshimoto, H. Nagao and K. Nishikawa, "Theoretical Study On Photoexcited States Of Strongly Correlated Electron Systems", AIP conference proceedings, 708, 753754, (2004). [doi]

T. Yamaguchi, I. Sakamoto, Y. Ohta, H. Nagao and K. Nishikawa, "Laser control of nonstationary proton state in hydrogenbonded system", AIP conference proceedings, 708, 787788, (2004). [doi]

T. Yamaguchi, Y. Ohta, K. Sugiyama, H. Nagao and K. Nishikawa, "Control of cistrans isomerization by stimulated Raman adiabatic passage method", AIP conference proceedings, 708, 793794, (2004). [doi]

I. Sakamoto, T. Yamaguchi, H. Nagao and K. Nishikawa, "Quantum algorithm in quantum network systems", AIP conference proceedings, 708, 795796, (2004). [doi]

Y. Ohta, J. Maki, H. Nagao and K. Nishikawa, "Ionization Process of the Hydrogen Atom in Intense Laser Fields: NonBornOppenheimer 1D Model Calculations", Int. J. Quant. Chem, 97, 891895, (2004). [doi]

N. Kato, H. Nagao, K. Nishikawa, K. Nishidate and K. Endo, "Possibility of Superconductivity in Intercalation Compound Related to MgB_{2}", Int. J. Quant. Chem, 96, 457462, (2004). [doi]

D. Yamaki, T. Ohsaku, H. Nagao and K. Yamaguchi, "Formulation of Unrestricted and Restricted HartreeFockBogoliubov Equations", Int. J. Quant Chem., 96, 1016, (2004). [doi]
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in 2003

K. Yamaguchi, T. Kawakami, T. Taniguchi, S. Nakano, Y. Kitagawa, H. Nagao, T. Ohsaku and R. Takeda, "Theoretical studies of moleculebased magnetic conductors", Polyhedron, 22, 20772090, (2003). [doi]

Y. Yamaguchi , M, Nakano, H. Nagao, M. Okumura, S. Yamanaka, T. Kawakami, D. yamaki, M, Nishino, Y. Shigeta, Y. Kitagawa, Y. Takano, M. Takahara and R. Takeda, "Spin and Pseudo Spins in Theoretical Chemistry. A Unified View for Superposed and Entangled Quantum Systems", B. Kor. Chem. Soc., 24, 864880, (2003). [doi]
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T. Yoshimoto, A. Sugiyama, K. Sugiyama, H. Nagao and K. Nishikawa, "Theoretical studies on superconductivity by using the meanfield approximation", Recent Research Developments in Chemical Physics, 4 395420, (2003).

H. Saito, H. Nagao and K. Nishikawa, "Molecular collective dynamics and structural phase transition of solid parahydrogen: The ParrinelloRahmantype path integral centroid molecular dynamics study", Recent Research Developments in Chemical Physics, 4, 93124, (2003).

H. Nagao, H. Kawabe, S.P. Kruchinin and K. Yamaguchi, "Superconductivity in TwoBand Model by Renormalization Group Approach", Int. J. Mod. Phys. B, 17, 33733376, (2003). [doi]

H. Nagao, S.P. Kruchinin and K. Yamaguchi, "Multizone superconductivity", Models and Methods of HighTc Superconductivity Some Frontal Aspects Volume 1 Volume 241 in Horizons in World Physics edited by J. K. Srivastava, S. M. Rao, Chapter 6, p206214, (2003).

H. Nagao, H. Kawabe, S. P. Kruchinin, D. Manske and K. Yamaguchi, "Theoretical Studies on ManyBand Effects in Superconductivity by Using Renoemalization Group Approach", Mod. Phys. Lett. B, 17, 423431, (2003). [doi]

H. Saito, H. Nagao, K. Nishikawa and K. Kinugawa, "Molecular collective dynamics in solid parahydrogen and orthodeuterium: The ParrinelloRahmantype path integral centroid molecular dynamics approach", J. Chem. Phys., 119, 953963, (2003). [doi]

K. Nishikawa, T. Yamaguchi, I. Sakamoto, K. Nishi, Y. Ohta and H. Nagao, "Laser control of degenerated system by stimulated Raman adiabatic passage", Synthetic metals, 137, 14371438, (2003). [doi]

K. Yamaguchi, D. Yamaki, Y. Kitagawa, M. Takahata, T. Kawakami, T. Ohsaku and H. Nagao, "Nband Hubbard Models II: Cooperative Mechanisms of ElectronPhonon, Electron Correlation, and ManyBand Effects Toward HighT_{c} Auperconductors", Int. J. Quant. Chem, 92, 4770, (2003). [doi]

Y. Ohta, T. Yoshimoto, H. Saito, H. Nagao and K. Nishikawa, "Theoretical study on selective transition toward the control of chemical reaction by laser field", Recent Research Developments in Quantum Chemistry, 3, 211244, (2003).

Y. Ohta, J. Maki, H. Nagao, H. Kono and Y. Fujimura, "Dual Transformation for NonBornOppenheimer TimeDependent Density Functional Theory", Int. J. Quant. Chem, 91, 105112, (2003). [doi]
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in 2002

K. Nishikawa, Y. Ohta, T. Yoshimoto, T. Saito, K. Nishi and H. Nagao, "Laser control of proton motion in malonaldehyde molecule", J. Mol. Struct., 615, 1322, (2002). [doi]

H. Nagao, S.P. Kruchinin, A.M. Yaremko and K. Yamaguchi, "MULTIBAND SUPERCONDUCTIVITY", Int. J. Mod. Phys B., 16, 34193428, (2002). [doi]
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T. Kawakami, T. Taniguchi, Y. Kitagawa, Y. Takano, H. Nagao and K. Yamaguchi, "Theoretical investigation of magnetic parameters in twodimensional sheets of pure organic BEDTTTF and BETS molecules by using ab initio MO and DFT methods", Molecular Physics, 100, 26412652, (2002). [doi]

A.M. Yaremko, E.V. Mozdor, H. Nagao and S.P. Kruchinin, "Twoparticle Green function in the theory of superconductivity of HTSC and C60 crystals", NATO Science Series, II Mathematics, Physics and Chemistry Vol.67 "New Trends in Superconductivity", (Edited by J.F.Annett and S.P.Kruchinin) Kluwer Academic Publishers, 329339, (2002).

H. Nagao, A. M. Yaremko, S. P. Kruchinin and K. Yamaguchi, "Manyband effects in Superconductivity", NATO Science Series, II Mathematics, Physics and Chemistry Vol.67 "New Trends in Superconductivity", (Edited by J.F.Annett and S.P.Kruchinin) Kluwer Academic Publishers, 155165, (2002).

R. Suzuki, H. Saito, T. Yamaguchi, A. Sugiyama, I. Sakamoto, H. Nagao and K. Nishikawa, "Quantum Bits with Electric Charges by Josephson Junction", Mol. Cryst. Liq. Cryst., 379, 561566, (2002). [doi]

T. Yoshimoto, H. Saito, R. Suzuki, S. Nakano, H. Nagao, K. Yamaguchi and K. Nishikawa, "Estimation of Transfer Matrix of AgO System", Mol. Cryst. Liq. Cryst., 379, 519524, (2002). [doi]

S. Nakano, Y. Kitagawa, T. Kawakami, H. Nagao and K. Yamaguchi, "Theoretical Studies on SDW and CDW States of Cu and Ag Oxides under the Periodic Boundary condition", Mol. Cryst. Liq. Cryst., 379, 513518, (2002). [doi]

H. Saito, R. Suzuki, K. Nishi, H. Nagao, K. Yamaguchi and K. Nishikawa, "Molecular Dynamics Simulation of Metal Oxides Including Ag", Mol. Cryst. Liq. Cryst., 379, 501506, (2002). [doi]

H. Nagao, H. Saito, R. Suzuki, Y. Kitagawa, T. Kawakami and K. Yamaguchi, "Fieldinduced Superconductivity", Mol. Cryst. Liq. Cryst., 379, 495500, (2002). [doi]

K. Yamaguchi, Y. Kitagawa, T. Onishi, H. Isobe, T. Kawakami, H. Nagao and S. Takamizawa, "Spinmediated superconductivity in cuprates, organic conductors and \pid conjugated systems", Coordination Chemistry Reviews, 226, 235249, (2002). [doi]

Y. Ohta, T. Yoshimoto, H. Saito, H. Nagao and K. Nishikawa, "Theoretical study on selective transition toward the control of chemical reaction by laser field", Recent Research Developments in Quantum Chemistry, (2002) .

J. Suda, T. Mori, H. Saito, O. Kamishima, T. Hattori and T. Sato, "Firstorder Raman spectra and lattice dynamics of a NdGaO_{3} crystal", Phys. Rev. B, 66, 174302, (2002). [doi]
close
in 2001

K. Kinugawa, H. Nagao and K. Ohta, "A semiclassical approach to the dynamics of manybody Bose/Fermi systems by the path integral centroid molecular dynamics", J. Chem. Phys, 114, 14541466, (2001). [doi]

K. Kinugawa, H. Nagao and K. Ohta, "A path integral centroid molecular dynamcis method for Bose and Fermi statistics", J. Mol. Liq, 90, 1120, (2001). [doi]
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H. Nagao, K. Kinugawa, Y. Shigeta, K. Ohta and K. Yamaguchi, "Quantum spin dynamics in solution applicable to quantum computing",J. Mol. Li., 90, 6368, (2001). [doi]

Y. Shigeta, Y. Kitagawa, H. Nagao, Y. Yoshioka, J. Toyoda, K. Nakasuji and K. Yamaguchi, "Theoretical studies on the proton and electron transfer (PET) in a pseudo onedimensional hydrogen bonded network system", J. Mol. Liq, 90, 6974 (2001). [doi]

T. Yoshimoto, A. Yoshinaga, J. Maki, H. Kawabe, H. Nagao and K. Nishikawa, "Theoretical study on exciton molecule in twodimensional systems", Synthetic Metals, 119, 229230, (2001). [doi]

Y. Shigeta, H. Nagao, Y. Yoshioka, J. Toyoda, Y. Morita, K. Nakasuji and K. Yamaguchi, "A theoretical study on conductivity of model polymer including DNA base pairs", Synthetic Metals, 119, 259260, (2001). [doi]

J. Maki, T. Yoshimoto, H. Nagao and K. Nishikawa, "Theoretical study on van der Waals and charge transfer interactions between molecules", Synthetic Metals, 120, 765766, (2001). [doi]

A. Yoshinaga, T. Yoshimoto, H. Kawabe, H. Nagao, K. Yamaguchi and K. Nishikawa, "Theoretical study on magnetic structures of noncolinear magnets", Synthetic Matals, 121, 17861787, (2001). [doi]

Y. Ohta, T. Bando, K. Nishi, T. Hayashi, H. Nagao, and K. Nishikawa, "Control of proton tautomerization using laser field", Synthetic Metals, 121, 14831484, (2001). [doi]

T. Bando, Y. Ohta, K. Nishi, H. Nagao and K. Nishikawa, "Intermolecular double proton transfer controlled by laser field", Synthetic Metals, 121, 14851486, (2001). [doi]

H. Kawabe, K. Kinugawa, H. Saito, H. Nagao, K. Yamaguchi and K. Nishikawa, "Theoretical study on magnetic quantum tunneling of anisotropic spin systems with magnetic field", Synthetic Metals, 121, 17841785, (2001). [doi]

H. Saito, K. Kinugawa, Y. Ohta, H. Nagao, K. Yamaguchi and K. Nishikawa, "Quantum spin dynamics of antiferromagnetic ring with central excess spin", Synthetic Metals, 121, 17881789, (2001). [doi]

K. Nishikawa, H. Nagao, J. Maki, H. Kawabe and K. Yamaguchi, "Theoretical study on anomalous phases in organic systems with side chains", Synthetic Metals, 121, 17901791, (2001). [doi]

H. Nagao, Y. Shigeta, K. Yamaguchi and K. Nishikawa, "Theoretical study on triplet superconducting phase and other phases in holedoped ferromagnetic systems", Synthetic Metals, 121, 17921793, (2001). [doi]

H. Nagao, Y. Ohta, T. Yoshimoto, H. Saito, J. Maki, H. Kawabe, K. Ohta and K. Nishikawa, "Theoretical Study on Dependence of Hyperpolarizablility of OneDimensional Ring System on the Delocalization Transition", Int. J. Quant. Chem, 84, 686693, (2001). [doi]

H. Nagao, Y. Kitagawa, T. Kawakami, T. Yoshimoto, H. Saito and K. Yamaguchi, "Theoretical Studies on FieldInduced Superconductivity in Molecular Crystals", Int. J. Quantum Chem, 85, 608618, (2001). [doi]

H. Nagao, M. Nakano, K. Nishikawa, and K. Yamaguchi, "Theoretical Study on Quantum Dynamics of Bose System Interacting with Photon Field", Int. J. Quantum Chem, 84, 401408, (2001). [doi]
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in 2000

T. Soda, Y. Kitagawa, T. Onishi, Y. Takano, Y. Shigeta, H. Nagao, Y. Yoshioka and K. Yamaguchi, "Ab initio computations of effective exchange integrals for HH, HHeH and Mn_{2}O_{2} complex: comparision of brokensymmetry approaches", Chem. Phys. Lett, 319, 223230, (2000). [doi]

H. Nagao, M. Nishino, Y. Shigeta, T. Soda, Y. Kitagawa, T. Onishi, Y. Yoshioka and K. Yamaguchi, "Theoretical studies on effective spin interactions, spin alignments and macroscopic spin tunneling in polynuclear manganese and related complexes and their mesoscopic clusters", Coordination Chemistry Review, 198, 265295, (2000). [doi]
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A. Oda, H. Nagao and K. Yamaguchi, "Theoretical Studies on Network Systems with Interspin Interactions by Using the Genetic Algorithm", Prog. Theor. Phys, 138, 464465, (2000). [doi]

Y. Shigeta, H. Nagao, Y. Yoshioka, and K. Yamaguchi, "Theoretical Studies on Quantum Tunneling of Spins in Cluster of Clusters", Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals, 342, 279284, (2000). [doi]

M. Takahata, H. Fujita, M. Nakano, S. Takamizawa, S. Kiribayashi, H. Nagao, and K. Yamaguchi, "Exciton Migration Pathways in Dendritic Molecular Aggregates", Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals, 342, 297302, (2000). [doi]

H. Fujita, M. Takahata, M. Nakano, S. Kiribayashi, H. Nagao, and K. Yamagchi, "Polarizabilities of Dendritic Molecular Aggregates: Contribution of Exciton Generation", Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals, 342, 303308, (2000). [doi]

S. Yamanaka, D. Yamaki, Y. Shigeta, H. Nagao, Y. Yoshioka, K. Yamaguchi, and N. Suzuki, "Generalized SpinDensity Functional Calculation for the Spin Frustrated Systems", Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals, 343, 139144, (2000). [doi]

M. Nishino, Y. Kitagawa, T. Onishi, T. Soda, Y. Takano, H. Nagao, Y. Yoshioka, and K. Yamaguchi, "Theoretical Studies on Necessary Conditions for Reversible Photoinduced Magnetization: CobaltIron Cyanide System", Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals, 343, 151156, (2000). [doi]

M. Takahata, H. Fujita, M. Nakano, S. Kiribayashi, H. Nagao, and K. Yamaguchi, "Thirdorder nonlinear optical properties of fractal antenna molecular aggregates: effects of aggregate architecture", Nonlinear Optics, 26, 177184 (2000).

H. Fujita, M. Takahata, M. Nakano, S. Kiribayashi, H. Nagao, and K. Yamaguchi, "Spatial contribution of virtual excitations to the second hyperpolarizabilities of fractal antenna molecular aggregates", Nonlinear Optics, 26, 185192, (2000).

H. Nagao, M. Nakano, K. Kamada, K. Ohta, and K. Yamaguchi, "Exciton dynamics in model dendrimers", Nonlinear Optics, 26, 193200, (2000).

A. Oda, H. Nagao, Y. Kitagawa, Y. shigeta, and K. Yamaguchi, "Theoretical Studies on Magnetic Behavior in Clusters by the Genetic Algorithms", Int. J. Quant. Chem, 80, 646656, (2000). [doi]

S. Yamanaka, D. Yamaki, Y. Shigeta, H. Nagao, Y. Yoshioka, N. Suzuki, and K. Yamaguchi, "Generalized Spin Density Functional Theory for Noncollinear Molecular Magnetism", Int. J. Quant. Chem, 80, 664671, (2000). [doi]

D. Yamaki, Y. Shigeta, S. Yamanaka, H. Nagao, and K. Yamaguchi, "MP2, TammDankoff, and RPA Methods Based on the Generalized HF Solution", Int. J. Quant. Chem, 80, 701707, (2000). [doi]

H. Nagao, M. Nishino, Y. Shigeta, Y. Yoshioka, and K. Yamaguchi, "Theoretical Studies on Superconducting and Other Phases: Triplet Superconductivity, Ferromagnetism and Ferromagnetic Metal", Int. J. Quant. Chem, 80, 721732, (2000). [doi]

Y. Shigeta, H. Nagao, J. Toyoda, K. Nakasuji, Y. Yoshioka, and K. Yamaguchi, "Theoretical Study on Dependency of Conductivity on Structure of the Proton and ElectronCoupled System", Int. J. Quant. Chem., 80, 882891, (2000). [doi]

Y. Shigeta, H. Nagao, J. Toyoda, K. Nakasuji, Y. Yoshioka, and K. Yamaguchi, "Theoretical Study on Dependency of Conductivity on Structure of the Proton and ElectronCoupled System", Int. J. Quant. Chem., 80, 882891, (2000). [doi]

Y. Ohta, T. Yoshimoto, T. Bando, H. Kizu, H. Nagao, and K. Nishikawa, "Analysis of Adiabatic Population Transfer in Multilevel Systems by Hückel Model", Int. J. Quant. Chem, 80, 10681075, (2000). [doi]

H. Nagao, M. Nishino, Y. Shigeta, Y. Yoshioka, and K. Yamaguchi, "Theoretical studies on anomalous phases of photodoped systems in twoband model", J. Chem. Phys, 113, 1123711244, (2000). [doi]

T. Shinagawa, J. Suda, T. Sato, H. Saito, "Lattice Dynamics and Temperature Dependence of the FirstOrder Raman Spectra for PbMoO_{4} Crystal", Journal of the Physical Society of Japan, 69, 464472, (2000). [doi]
close
in 1999/h4>

S. Yamada, M. Nakano, H. Nagao, and K.Yamaguchi, "Electron Correlation and Structure Dependecies of the Second Hyperpolarizability of Ethylene", Int. J. Quant. Chem, 71, 177184, (1999). [doi]

M. Nakano, S. Yamada, H. Nagao, and K. Yamaguchi, "Numerical Coupled Liouville Approach: Application to Second Hyperpolarizability of Molecular Aggregate", Int. J. Quant. Chem, 71, 295306, (1999). [doi]
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H. Nagao, S. Yamanaka, M. Nishino, Y. Yoshioka and K. Yamaguchi, "Theoretical studies on the magnetic quantum tunneling rates in Mn Clusters by the path integral method", Chem. Phys. Lett, 302, 418424, (1999). [doi]

K. Yamaguchi, S. Yamanaka, M. Nishino, Y. Takano, Y. Kitagawa, H. Nagao, and Y.Yoshioka, "Symmetry and broken symmetries in molecular orbital descriptions of unstable Molecules II. Alignment, flustration and tunneling of Spins in mesoscopic molecular magnets", Theor. Chem. Acc, 102, 328345, (1999). [doi]

K. Kinugawa, H. Nagao, and K. Ohta, "Path integral centroid molecular dynamics method for Bose and Fermi statistics : formalism and simulation", Chem. Phys. Lett, 307, 187197, (1999). [doi]

H. Nagao, M. Nakano, Y. Shigeta, and K. Yamaguchi, "Quantum Phase Dynamics of Interaction between Photon Field and Magnetic System: Effects of Magnetic Quantum Tunnelling", Optical Review, 6, 227231, (1999). [doi]

Y. Shigeta, T. Kawakami, H. Nagao, and K. Yamaguchi, "Theoretical studies of magnetization by ab initio path integral method", Synthetic Metals, 103, 19891990, (1999). [doi]

D. Yamaki, H. Nagao, M. Nakano, Y. Yoshioka, and K. Yamaguchi, "Visualization of twobody electrondensities and wavefunctions for several molecules", Synthetic Metals, 103, 20022003, (1999). [doi]

H. Nagao, H. Kawabe, Y. Shigeta, M. Nishino, M. Mitani, and K. Yamaguchi, "Theoretical studies on anomalous phases in model plane systems of libeh_{3}", Synthetic Metals, 103, 26512652, (1999). [doi]

Y. Shigeta, S. Yamada, H. Nagao, M. Nakano, K. Ohta, and K. Yamaguchi, "Theoretical study on polarizability of ethylene by path intergal method", Synthetic Metals, 101, 513, (1999). [doi]

Y. Shigeta, H. Nagao, K. Nishikawa, and K. Yamaguchi, "A formulation and numerical approach to molecular systems by the Green function method without the BornOppenheimer approximation", J. Chem. Phys, 111, 61716179, (1999). [doi]

M. Nishino, H. Nagao, Y. Yoshioka, and K. Yamaguchi, "Dynamics of Magnetization for a System (S=3) with Strong Uniaxial Magnetocrystalline Anisotropy", Molecular Crystals and Liquid Crystals Science and Technology. Secton A. Molecular Crystals and Liquid Crystals, 335, 593602, (1999). [doi]

H. Nagao, M. Mitani, M. Nishino, Y. Shigeta, Y. Yoshioka, and K. Yamaguchi, "Theoretical Studies on Anomalous Phases in Molecular Systems with External Field: Possibility of PhotoInduced Superconductivity", Int. J. Quant. Chem, 75, 549561, (1999). [doi]

D. Yamaki, Y. Kitagawa, H. Nagao, M. Nakano, Y. Yoshioka, and K. Yamaguchi, "Visualization of TwoBody Electron Densities and Wave Functions of Magnetic Molecules", Int. J. Quant. Chem., 75, 645654, (1999). [doi]

Y. Shigeta, H. Nagao, K. Nishikawa, and K. Yamaguchi, "Density Functional Theory without the BornOppenheimer Approximation. II. Green Function Techniques", Int. J. Quant. Chem, 75, 875883, (1999). [doi]

Y. Shigeta, T. Kawakami, H. Nagao, and K. Yamaguchi, "A theoretical study of spin level crossing induced by an external magnetic field of ring molecule magnet models", Chem. Phys. Lett, 315, 441445, (1999). [doi]
close
in 1998

Y. Shigeta, Y. Ozaki, K. Kodama, H. Nagao, H. Kawabe, and K. Nishikawa, "Nonadiabatic Molecular Theory and its Application. II. Water Molecule", Int. J. Quant. Chem, 69, 629637, (1998). [doi]

Y. Shigeta, H. Takahashi, S. Yamanaka, M. Mitani, H. Nagao, and K. Yamaguchi, "Density Functional Theory Without the BornOppenheimer Approximation and its Application", Int. J. Quant. Chem., 70, 659669, (1998). [doi]
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K. Kamada, M. Ueda, H. Nagao, K. Tawa, T. Sugino, Y. Shimizu, and K. Ohta, "Effect of Heavy Atom on the Second Hyperpolarizability of Tetrahydrofuran Homologus Investigated by Ab Initio Molecular Orbital Method", Int. J. Quant. Chem., 70, 737743, (1993). [doi]

H. Nagao, M. Mitani, M. Nishino, Y. Shigeta, Y. Yoshioka, and K. Yamaguchi, "Possibility of ChargeMediated Superconductors in the Intermediate Region of MetalInsulator Transitions", Int. J. Quant. Chem., 70, 10751084, (1998). [doi]
close
in 1997

M. Nakano, H. Nagao, and K. Yamaguchi, "Manyelectron hyperpolarizability density analysis: Application to the dissociation process of onedimensional H_{2}s", Phys. Rev. A, 55, 15031513, (1997). [doi]

H. Nagao, M. Nakano, S. Yamada, K. Ohta, and K. Yamaguchi, "Theoretical study on the second hyperpolarizability of H_{3}^{+} system by path integral method", Synthetic Metals, 85, 11591160, (1997). [doi]
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S. Kiribayashi, M. Nakano, S. Yamada, I. Shigemoto, H. Nagao, and K. Yamaguchi, "Theoretical studies for second hyperpolarizabilities of alternant and condensedring conjugated systems II", Synthetic Metals, 85, 11631164, (1997). [doi]

T. Kawakami, H. Nagao, W. Mori, and K. Yamaguchi, "Calculation of magnetization by path integral method", Synthetic Metals, 85, 17531754, (1997). [doi]

H. Nagao, Y. Shigeta, H. Kawabe, T. Kawakami, K. Nishikawa, and K. Yamaguchi, "Path Integral method by means of generalized coherent states and its numerical approach to molecular systems. I.Ensemble average of total energy", J. Chem. Phys., 107, 62836289, (1997). [doi]

H. Kawabe, K. Kodama, H. Nagao, and K. Nishikawa, "Finite Temperature Ab Initio Calculation by Path Integral Monte Carlo Method", Int. J. Quant Chem., 65, 471476, (1997). [doi]

H. Nagao, K. Ohta, M. Nakano, and K. Yamaguchi, "Theoretical Studies of Second Hyperpolarizability by Path Integral Method: Effects of External Magnetic Field" Int. J. Quantum Chem., 65, 697707, (1997). [doi]

H. Nagao, M. Nishino, M. Mitani, Y. Yoshioka and K. Yamaguchi, "Possibilities of charge and/or spinmediated superconductors and photoinduced superconductors in the intermidiated region of metalinsulator transitions", Int. J. Quant. Chem., 65, 947964, (1997). [doi]
close
in 1996

M. Nakano, Y. Matsuzaki, H. Nagao, S. Yamada, I. Shigemoto, and K. Yamaguchi, "Damping wave packet approach: a calculation method of nonperturbative nonlinear optical susceptibilities including effects of nuclear motion at finite temperatures", Chem. Phys. Lett., 258, 307315, (1996). [doi]

H. Nagao, H. Kawabe, T. Kawakami, M. Okumura, W. Mori, K. Nishikawa, and K. Yamaguchi, "Calculation of Magnetization by Path Integral Method I", Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals, 286, 171176, (1996). [doi]
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T. Kawakami, H. Nagao, K. Ueda, W. Mori, and K. Yamaguchi, "Calculation of Magnetization by Path Integral Method II", Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals, 286, 177184, (1996). [doi]

H. Kawabe, H. Nagao, and K. Nishikawa, "Path Integral Formulation for ManyElectron System", Int. J. Quant. Chem, 59, 457469, (1996). [doi]

H. Kawabe, H. Nagao, and K. Nishikawa, "Path Integral Monte Carlo Method for Ab Initio Calculation", Int. J. Quant. Chem, 60, 12231229, (1996). [doi]

H. Nagao, K. Kodama, Y. Shigeta, K. Nishikawa, H. Kawabe, M. Nakano, and K. Yamaguchi, "Nonadiabatic Treatment of Molecular Systems by the Wavepackets Method", Int. J. Quantum Chem, 60, 12611269, (1996). [doi]

H. Nagao, M. Nakano, S. Yamanaka, S. Yamada, D. Yamaki, I. Shigemoto, S. Kiribayashi, K. Yamaguchi, and Y. Shigeta, "ManyElectronWavepackets Method", Int. J. Quant. Chem, 60, 12911301, (1996). [doi]
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Society Award
in 2018
学生発表賞 Isman Kurniwan, Kazutomo Kawaguchi, Mitsuo Shoji, Toru Matsui, Yasuteru Shigeta, Hidemi Nagao "Theoretical Study on the Contribution of Spin Structure of Rebox Potential of [2Fe2S] Core Cluster from IronSulfur Proteins" 第56回日本生物物理学会年会
Books

MODERN ASPECTS OF SUPERCONDUCTIVITY
Theory of Superconductivity
by Sergei Kruchinin (Bogolyubov Institute for Theoretical Physics, Kiev,
Ukraine), Hidemi Nagao (Kanazawa University, Japan), & Shigeyuki Aono
(Kanazawa University, Japan) ,world scientific, (2010).

長尾秀実 共著;
「物性量子化学入門」 山口兆、岡泰規、中野雅由、長尾秀実、奥村充孝 編、
第７章 高温および分子性超伝導
第１２章 磁場や光により誘起される物性発現
第１３章 分子素子および生体分子素子 担当、講談社サイエンティフィク、2004年10月1日

長尾秀実 共著;
「物理化学実験法」第四版 千原秀昭、徂徠道夫 編、
第二章 可視紫外吸収スペクトル 担当、東京化学同人、2000年9月1日
Review Papers

川上貴資、北河康隆、山木大輔、山口兆、長尾秀実;
「固体物理」誌上セミナー
「分子磁性の理論（その１６：最終回） BECからBCSへのクロスオーバーと高温超伝導発現機構」
Vol.41 No.3 (2006) 157169.

S. P. Kruchinin and H. Nagao
"1.4 MultiGap Superconductivity in MgB_{2}"
ERICE 2003 proceedings,
Springer, NATO Science Series II: Mathematics, Physics and Chemistry Vol.214
Dordrecht/Boston/London "Symmetry and Heterogeneity in High Temperature Superconductors",
(Edited by A. Bianconi)
Kluwer Academic Publishers 6576, (2006).

井戸健敬、齋藤大明、川辺弘之、下村有子;
"色覚バリアフリー機器を実現するための色変換アルゴリズム" J.SOPE Japan, 16, 8388, (2004).

H. Nagao, S. P. Kruchinin, K. Yamaguchi
"Multizone superconductivity"
Models and Methods of HighTc Superconductivity Some Frontal Aspects Volume 1
Volume 241 in Horizons in World Physics edited by J. K. Srivastava, S. M.
Rao Chapter 6, (2003)

H. Nagao
"Chapter 4. Structure and Dynamics of Manganese Oxide Clusters and Related
Systems", P137160.
Organometallic Conjugation Structures, Reactions and Functions of dd and
d\pi Conjugated Systems, (ed. A. Nakamura, N. Ueyama and K. Yamaguchi)
KODANSHA Springer, (2002)

H. Nagao, A. M. Yaremko, S. P. Kruchinin, K. Yamaguchi
"Manyband effects in Superconductivity"
NATO Science Series, II Mathematics, Physics and Chemistry Vol.67
"New Trends in Superconductivity",
(Edited by J.F.Annett and S.P.Kruchinin)
Kluwer Academic Publishers , 155165, (2002).

A. M. Yaremko, E. V. Mozdor, H. Nagao, S. P. Kruchinin
"Twoparticle Green function in the theory of superconductivity of HTSC and
C60 crystals"
NATO Science Series, II Mathematics, Physics and Chemistry Vol.67
"New Trends in Superconductivity",
(Edited by J.F. Annett and S.P. Kruchinin)
Kluwer Academic Publishers , 329339, (2002).

川上貴資、山口兆、長尾秀実;
「固体物理」＜相関電子系の物質設計＞特集号
「強電子相関系への量子化学的アプローチ」, Vol.36, No.10, 665678, (2001).
Patent
 量子演算素子および量子演算器
福見俊夫・長尾秀実・太田浩二・鎌田賢司
出願日1997年3月7日、特願平970513、公開日1998年9月25日、特開平10254569