Publication研究成果

2016

  1. [A92] K. Koizumi, K. Nobusada and M. Boero, "Simple but efficient method for inhibiting sintering and aggregation of catalytic Pt nanoclusters on metal-oxide supports", Chem. Eur. J., (2016) in press. DOI
  2. [A91] Maiku Yamaguchi and Katsuyuki Nobusada, "Large Hyperpolarizabilities of the Second Harmonic Generation Induced by Nonuniform Optical Near Fields", J. Phys. Chem. C, (2016) in press. SIGNIFICANCE, DOI
  3. [A90] S. Sharma, S. Yamazoe, T. Ono, W. Kurashige, Y. Niihori, K. Nobusada, T. Tsukuda and Y. Negishi, "Tuning the electronic structure of thiolateprotected 25-atom clusters by co-substitution with metals having different preferential sites", Dalton Trans. (2016) in press. DOI
  4. [A89] K. Koizumi, K. Nobusada and M. Boero, "The absence of a gap state and enhancement of the Mars-van Krevelen reaction on oxygen defective Cu/CeO2 surfaces", Phys. Chem. Chem. Phys. 18, 20708-20712 (2016). SIGNIFICANCE DOI
  5. [A88] Y. Niihori, M. Eguro, A. Kato, S. Sharma, B. Kumar, W. Kurashige, K. Nobusada and Y. Negishi, "Improvements in the Ligand-Exchange Reactivity of Phenylethanethiolate-Protected Au25 Nanocluster by Ag or Cu Incorporation", J. Phys. Chem. C 120, 14301-14309 (2016). DOI
  6. [A87] Kenji Iida and Katsuyuki Nobusada, "Electric field effects on the electronic properties of the silicene–amine interface", Phys. Chem. Chem. Phys., 18, 15639--15644 (2016). DOI
  7. [A86] Maiku Yamaguchi and Katsuyuki Nobusada, "Indirect interband transition induced by optical near fields with large wave numbers", Phys. Rev. B, 93, 195111-1-195111-9 (2016). SIGNIFICANCE, DOI
  8. [A85] M. Zhou, H. Qian, M. Y. Sfeir, K. Nobusada and R. Jin, "Effects of single atom doping on the ultrafast electron dynamics of M1Au24(SR)18 (M = Pd, Pt) nanoclusters", Nanoscale 8, 7163-7171 (2016).
  9. [A84] C. Zeng, Y. Chen, K. Iida, K. Nobusada, K. Kirschbaum, K. J. Lambright and R. Jin, "Gold Quantum Boxes: On the Periodicities and the Quantum Confinement in the Au28, Au36, Au44, and Au52 Magic Series", J. Am. Chem. Soc. 138, 3950-3953 (2016).
  10. [A83] K. Koizumi, K. Nobusada and M. Boero, "Reducing the Cost and Preserving the Reactivity in Noble-Metal-Based Catalysts: Oxidation of CO by Pt and Al–Pt Alloy Clusters Supported on Graphene", Chem. Eur. J 22, 5181-5188 (2016). SIGNIFICANCE, DOI
  11. [A82] T. Yatsui, T. Tsuboi, M. Yamaguchi, K. Nobusada, S. Tojo, F. Stehlin, O. Soppera and D. Bloch, "Optically controlled magnetic-field etching on the nano-scale", Light: Science & Applications, 5, e16054 (2016). DOI
  12. [A81] M. Yamaguchi and K. Nobusada, "Photodissociation path in H2+ induced by nonuniform optical near fields: Two-step excitation via vibrationally excited states", Phys. Rev. A 93, 023416-1-023416-5 (2016).
  13. [A80] K. Iida, M. Noda and K. Nobusada, "Interface Electronic Properties Between a Gold Core and Thiolate Ligands: Effects on an Optical Absorption Spectrum in Au133(SPhtBu)52", J. Phys. Chem. C 120, 2753−2759 (2016).

2015

  1. [A79] M. Yamaguchi, K. Nobusada and T. Yatsui, "Nonlinear optical response induced by a second-harmonic electric-field component concomitant with optical near-field excitation", Phys. Rev. A 92, 043809-1-043809-9 (2015). SIGNIFICANCE, DOI
  2. [A78] C. Zeng, Y. Chen, C. Liu, K. Nobusada, N. L. Rosi and R. Jin, "Gold tetrahedra coil up: Kekulé-like and double helical superstructures", Sci. Adv. 1, e1500425 (6 pages) (2015).
  3. [A77] C. Liu, T. Li, G. Li, K. Nobusada, C. Zeng, G. Pang, N. L. Rosi and R. Jin, "Observation of Body-Centered Cubic Gold Nanocluster", Angew. Chem. Int. Ed. 54, 9826-9829 (2015).
  4. [A76] K. Koizumi, K. Nobusada and M. Boero, "Reaction Pathway and Free Energy Landscape of Catalytic Oxidation of Carbon Monoxide Operated by a Novel Supported Gold–Copper Alloy Cluster", J. Phys. Chem. C 119, 15421–15427 (2015).
  5. [A75] K. Iida, M. Noda and K. Nobusada, "Control of Optical Response of a Supported Cluster on Different Dielectric Substrates", J. Chem. Phys. 142, 214702-1-214702-9 (2015).
  6. [A74] M. Yamaguchi, K. Nobusada, T. Kawazoe and T. Yatsui, "Two-photon absorption induced by electric field gradient of optical near-field and its application to photolithography", Appl. Phys. Lett. 106, 191103-1-191103-5 (2015).
  7. [A73] S. Sharma, W. Kurashige, K. Nobusada and Y. Negishi, "Effect of trimetallization in thiolate-protected Au24−nCunPd clusters", Nanoscale 7, 10606-10612 (2015).
  8. [A72] A. Das, C. Liu, H. Y. Byun, K. Nobusada, S. Zhao, N. L. Rosi and R. Jin, "Structure Determination of Au18(SR)14", Angew. Chem. Int. Ed. 54, 3140-3144 (2015).

2014

  1. [A71] K. IIda, M. Noda, K. Ishimura and K. Nobusada, "First-Principles Computational Visualization of Localized Surface Plasmon Resonance in Gold Nanoclusters", J. Phys. Chem. A, 118, 11317 (2014)
  2. [A70] S. Yamazoe, W. Kurashige, K. Nobusada, Y. Negishi and T. Tsukuda, "Preferential Location of Coinage Metal Dopants (M = Ag or Cu) in [Au25−xMx(SC2H4Ph)18] (x~1) As Determined by Extended X-ray Absorption Fine Structure and Density Functional Theory Calculations", J. Phys. Chem. C 118, 25284-25290 (2014).
  3. [A69] K. IIda, M. Noda and K. Nobusada, "Theoretical Approach for Optical Response in Electrochemical Systems: Application to Electrode Potential Dependence of Surface-Enhanced-Raman Scattering", J. Chem. Phys., 141, 124124 (2014)
  4. [A68] W. Kurashige, S. Yamazoe, M. Yamaguchi, K. Nishido, K. Nobusada, T. Tsukuda and Y. Negishi, "Au25 Clusters Containing Unoxidized Tellurolates in the Ligand Shell", J. Phys. Chem. Lett., 5, 2072 (2014)
  5. [A67] A. Das, T. Li, G. Li, K. Nobusada, C. Zeng, N. L. Rosi and R. Jin, "Crystal structure and electronic properties of a thiolate-protected Au24 nanocluster", Nanoscale, 6, 6458 (2014)
  6. [A66] M. Noda, K. Ishimura, K. Nobusada, K. Yabana and T. Boku, "Massively-Parallel Electron Dynamics Calculations in Real-time and Real-Space: Toward Applications to Nanostructures of more than Ten-Nanometers in Size", J. Comp. Phys., 265, 145 (2014)
  7. [A65] R. Jin and K. Nobusada, "Doping and Alloying in Atomically Precise Gold Nanoparticles", Nano Res., 7, 285 (2014)

2013

  1. [A64] A. Das, T. Li, K. Nobusada, C. Zeng, N. L. Rosi and R. Jin, "Nonsuperatomic [Au23(SC6H11)16] Nanocluster Featuring Bipyramidal Au15 Kernel and Trimeric Au3(SR)4 Motif", J. Am. Chem. Soc. 135, 18264-18267 (2013).
  2. [A63] T. Iwasa, K. Nobusada and A. Nakajima, "Electronic and Optical Properties of Vertex-sharing Homo- and Hetero-Biicosahedral Gold Clusters", J. Phys. Chem. C, 46, 24586 (2013)
  3. [A62] Y. Negishi, W. Kurashige, Y. Niihori and K. Nobusada, "Toward the Creation of Stable, Functionalized Metal Clusters", Phys. Chem. Chem. Phys., 15, 18736 (2013)
  4. [A61] K. IIda, T. Yasuike and K. Nobusada, "Development of open-boundary cluster model approach for electrochemical systems and its application to Ag+ adsorption on Au(111) and Ag(111) electrodes", J. Chem. Phys., 139, 1041011 (2013)
  5. [A60] W. Kurashige, K. Munakata, K. Nobusada and Y. Negishi, "Synthesis of stable CunAu25-n nanoclusters (n = 1-9) using selenolate ligands", ChemComm, 49, 5447 (2013)
  6. [A59] T. Yasuike and K. Nobusada, "Raman enhancement by plasmonic excitation of structurally-characterized metal clusters: Au8, Ag8, and Cu8", Phys. Chem. Chem. Phys. 15, 5424-5429 (2013).

2012

  1. [A58] A. Das, T. Li, K. Nobusada, Q. Zeng, N. L. Rosi and R. Jin, "Total Structure and Optical Properties of a Phosphine/Thiolate-Protected Au24 Nanocluster", J. Am. Chem. Soc., 134, 20286 (2012)
  2. [A57] W. Kurashige, M. Yamaguchi, K. Nobusada and Y. Negishi, "Ligand-Induced Stability of Gold Nanoclusters: Thiolate versus Selenolate", J. Phys. Chem. Lett., 3, 2649 (2012)
  3. [A56] M. Noda, T. Yasuike, K. Nobusada and M. Hayashi, "Enhanced Raman spectrum of pyrazine with the aid of resonant electron dynamics in a nearby cluster", Chem. Phys. Lett., 550, 52 (2012)
  4. [A55] Y. Negishi, K. Munakata, W. Ohgake and K. Nobusada, "Effect of Copper Doping on Electronic Structure, Geometric Structure, and Stability of Thiolate-Protected Au25 Nanoclusters", J. Phys. Chem. Lett. 3, 2209-2214 (2012).
  5. [A54] Y. Negishi, K. Igarashi, K. Munakata, W. Ohgake and K. Nobusada, "Palladium doping of magic gold cluster Au38(SC2H4Ph)24: formation of Pd2Au36(SC2H4Ph)24 with higher stability than Au38(SC2H4Ph)24", Chem. Comm. 48, 660-662 (2012).

2011

  1. [A53] T. Yasuike and K. Nobusada, "Open-boundary cluster model implemented in first-principles calculations for electronic excited states of an adsorbate-surface system", Phys. Rev. B, 84, 245408 (2011)
  2. [A52] K. Watanabe, Y. Matsumoto, T. Yasuike and K. Nobusada, "Adsorbate-Localized versus Substrate-Mediated Excitation Mechanisms for Generation of Coherent Cs–Cu Stretching Vibration at Cu(111)", J. Phys. Chem. A, 115, 9528 (2011)
  3. [A51] M. Y. Sfeir, H. Qian, K. Nobusada and R. Jin, "Ultrafast Relaxation Dynamics of Rod-Shaped 25-Atom Gold Nanoclusters", J. Phys. Chem. C, 115, 6200 (2011)
  4. [A50] T. Yasuike, K. Nobusada and M. Hayashi, "Collectivity of plasmonic excitations in small sodium clusters with ring and linear structures", Phys. Rev. A, 83, 013201 (2011)
  5. [A49] Y. Kubota and K. Nobusada, "Exciton-polariton transmission in quantum dot waveguides and a new transmission path due to thermal relaxation", J. Chem. Phys., 134, 0441081 (2011)

2010以前

  1. [A48] T. Iwasa and K. Nobusada, "Near-field-induced optical force on a metal particle and C60: Real-time and real-space electron dynamics simulation", Phys. Rev. A, 82, 0434111 (2010)
  2. [A47] Y. Negishi, W. Kurashige, Y. Niihori, T. Iwasa and K. Nobusada, "Isolation, structure, and stability of a dodecanethiolate-protected Pd1Au24 cluster", Phys. Chem. Chem. Phys., 12, 6219 (2010)
  3. [A46] T. Iwasa and K. Nobusada, "Nonuniform light-matter interaction theory for near-field-induced electron dynamics", Phys. Rev. A, 80, 0434091 (2009)
  4. [A45] Y. Kubota and K. Nobusada, "Applicability of Site-Basis Time-Evolution Equation for Thermalization of Exciton States in a Quantum Dot Array", J. Phys. Soc. Jpn, 78, 114603 (2009)
  5. [A44] D.-e. Jiang, K. Nobusada, W. Luo and R. L. Whetten, "Thiolated Gold Nanowires: Metallic versus Semiconducting", ACS NANO, 3, 2351 (2009)
  6. [A43] T. Yasuike and K. Nobusada, "Photoinduced coherent adsorbate dynamics on a metal surface: Nuclear wave-packet simulation with quasi-diabatic potential energy curves using an open-boundary cluster model approach", Phys. Rev. B, 80, 035430 (2009)
  7. [A42] Y. Kawashita, K. Yabana, M. Noda, K. Nobusada and T. Nakatsukasa, "Oscillator Strength Distribution of C60 in the Time-Dependent Density Functional Theory", J. Mol. Struct.: Theochem, 914, 130 (2009)
  8. [A41] K. Shiratori and K. Nobusada, "Development of a Finite-Temperature Density Functional Approach to Electrochemical Reactions", J. Phys, Chem. A, 112, 10681 (2008)
  9. [A40] Y. Kubota and K. Nobusada, "Exciton transfer in quantum dot arrays: Comparison of eigenbasis and site basis representations", J. Chem. Phys., 129, 094704 (2008)
  10. [A39] T. Yasuike and K. Nobusada, "Quasi-Diabatic Decoupling of Born-Oppenheimer Potential Energy Curves for Adsorbate-Metal Surface Systems", Chem. Phys. Lett., 457, 241 (2008)
  11. [A38] K. Shiratori and K. Nobusada, "Finite-Temperature Density Functional Calculation with Polarizable Continuum Model in Electrochemical Environment", Chem. Phys. Lett., 451, 158 (2008)
  12. [A37] T. Yasuike and K. Nobusada, "Open-Boundary Cluster Model for Calculation of Adsorbate-Surface Electronic States", Phys. Rev. B, 76, 235401 (2007)
  13. [A36] K. Nobusada and T. Iwasa, "Oligomeric Gold Clusters with Vertex-Sharing Bi- and Triicosahedral Structures", J. Phys. Chem. C, 111, 14279 (2007)
  14. [A35] K. Ikeda, Y. Kobayashi, Y. Negishi, M. Seto, T. Iwasa, K. Nobusada, T. Tsukuda and N. Kojima, "Thiolate-Induced Structural Reconstruction of Gold Clusters Probed by 197Au Mössbauer Spectroscopy", J. Am. Chem. Soc. 129, 7230-7231 (2007).
  15. [A34] T. Iwasa and K. Nobusada, "Gold-thiolate core-in-cage cluster [Au25(SCH3)18] shows localized spins in charged states ", Chem. Phys. Lett. 441, 268-272 (2007).
  16. [A33] Y. Kubota and K. Nobusada, "Efficient Numerical Method for Calculating Exciton States in Quantum Boxes", Phys. Lett. A, 369, 128 (2007)
  17. [A32] K. Nobusada and K. Yabana, "Photoinduced electric currents in ring-shaped molecules by circularly polarized laser pulses", Phys. Rev. A, 75, 032518 (2007)
  18. [A31] T. Iwasa and K. Nobusada, "Theoretical Investigation of Optimized Structures of Thiolated Gold Cluster [Au25(SCH3)18]+", J. Phys. Chem. C 111, 45-49 (2007).
  19. [A30] Y. Negishi, K. Nobusada and T. Tsukuda, "Glutathione-Protected Gold Clusters Revisited: Bridging the Gap between Gold(I)-Thiolate Complexes and Thiolate-Protected Gold Nanocrystals", J. Am. Chem. Soc., 127, 5261 (2005)
  20. [A29] K. Shiratori, K. Nobusada and K. Yabana, "Multiple ionization of a silver diatomic molecule in an intense laser field", Chem. Phys. Lett., 404, 365 (2005)
  21. [A28] K. Nobusada and K. Yabana, "High-order harmonic generation from silver clusters: Laser-frequency dependence and the screening effect of d electrons", Phys. Rev. A, 70, 043411 (2004)
  22. [A27] K. Nobusada, "Electronic structure and photochemical properties of a monolayer-protected gold cluster", J. Phys. Chem. B, 108(32), 11904 (2004)
  23. [A26] K. Tanaka and K. Nobusada, "Theoretical study of bending and symmetric stretching vibrational levels of the lowest five quintet and two triplet states of FeH2", Chem. Phys. Lett., 388, 389 (2004)
  24. [A25] K. Nobusada and T. Yamaki, "Electronic properties of palladium-thiolate complexes with tiara-like structures", J. Phys. Chem. A, 108(10), 1813 (2004)
  25. [A24] T. Yamaki and K. Nobusada, "Theoretical study of metal-ligand bonds in Pb(II) porphyrins", J. Phys. Chem. A, 107(13), 2351 (2003)
  26. [A23] T. Sato, K. Nobusada and K. Tanaka, "An ab initio study of ion-pair formation from the third 1A' state of ArHCl", Chem. Phys. Lett., 363, 429 (2002)
  27. [A22] K. Nobusada, "A theoretical simulation of symmetry-resolved spectra for excitation to the C 1s-12pu Renner-Teller states in CO2", J. Phys. B: At. Mol. Opt. Phys. 35, 3055-3067 (2002).
  28. [A21] H. Yoshida, K. Nobusada, K. Okada, S. Tanimoto, N. Saito, A. De Fanis and K. Ueda, "Symmetry-resolved vibrational spectroscopy for the C 1s-12pu Renner-Teller pair states in CO2", Phys. Rev. Lett. 88 (8), 083001-1-083001-4 (2002).
  29. [A20] A. De Fanis, K. Nobusada, I. Hjelte, N. Saito, M. Kitajima, M. Okamoto, H. Tanaka, H. Yoshida, A. Hiraya, I. Koyano, M. N. Piancastelli and K. Ueda, "Control of nuclear motion in the B 2b2 ionic state of water via an Auger resonant raman process", J. Phys. B: At. Mol. Opt. Phys. 35, L23-L29 (2002).
  30. [A19] H. Kamisaka, W. Bian, K. Nobusada and H. Nakamura, "Accurate quantum dynamics of electronically nonadiabatic chemical reactions in the DH2+ system.", J. Chem. Phys., 116(2), 654 (2002)
  31. [A18] C. Zhu, K. Nobusada and H. Nakamura, "New implementation of the trajectory surface hopping method with use of the Zhu-Nakamura theory", J. Chem. Phys., 115(7), 3031 (2001)
  32. [A17] A. Hiraya, K. Nobusada, M. Simon, K. Okada, T. Tokushima, Y. Senba, H. Yoshida, K. Kamimori, H. Okumura, Y. Shimizu, A.-L. Thomas, P. Millie, I. Koyano and K. Ueda, "H2+ formation from H2O+ mediated by the core-excitation-induced nuclear motion in H2O", Phys. Rev. A 63 (4), 042705-1-042705-5 (2001).
  33. [A16] Y. Lin, B. Ramachandran, K. Nobusada and H. Nakamura, "Quantum-classical correspondence in the O(3P) + HCl and Cl(2P) + OH reactions for total angular momentum J = 0", J. Chem. Phys. 114 (4), 1549-1558 (2001).
  34. [A15] V. G. Ushakov, K. Nobusada and V. I. Osherov, "Electronically nonadiabatic transitions in a collinear H2 + H+ system: Quantum mechanical understanding and comparison with a trajectory surface hopping method", Phys. Chem. Chem. Phys. 3, 63-69 (2001).
  35. [A14] K. Nobusada, H. Nakamura, Y. Lin and B. Ramachandran, "Quantum reaction dynamics of O(3P) + HCl on a new ab initio potential energy surface", J. Chem. Phys., 113(3), 1018 (2000)
  36. [A13] K. Nobusada and K. Tanaka, "A theoretical study of ion dissociation of H2O2+", J. Chem. Phys. 112 (17), 7437-7442 (2000).
  37. [A12] C. Zhu, H. Nakamura and K. Nobusada, "Electronically adiabatic chemical reactions analyzed by the semiclassical theory of nonadiabatic transition", Phys. Chem. Chem. Phys., 2, 557 (2000)
  38. [A11] K. Nobusada and H. Nakamura, "On the J-shift approximation in quantum reaction dynamics", J. Phys. Chem. A, 103(34), 6715 (1999)
  39. [A10] G. V. Mil'nikov, O. I. Tolstikhin, K. Nobusada and H. Nakamura, "Quantum reaction dynamics of an asymmetric exoergic heavy-light-heavy system: Cl + HBr -> HCl +Br", Phys. Chem. Chem. Phys., 1, 1159 (1999)
  40. [A09] K. Nobusada, O. I. Tolstikhin and H. Nakamura, "Quantum reaction dynamics of Cl + HCl -> HCl +Cl: Vibrationally non-adiabatic reactions", J. Mol. Struc. (THEOCHEM), 461-462, 137 (1999)
  41. [A08] K. Nobusada, O. I. Tolstikhin and H. Nakamura, "Quantum reaction dynamics of heavy-light-heavy systems: Reduction of the number of potential curves and transitions at avoided crossings", J. Phys. Chem. A, 102(47), 9445 (1998)
  42. [A07] K. Nobusada, O. I. Tolstikhin and H. Nakamura, "Quantum mechanical elucidation of reaction mechanisms of heavy-light-heavy systems: Role of potential ridge", J. Chem. Phys., 108(21), 8922 (1998)
  43. [A06] K. Nobusada and K. Sakimoto, "A quantum mechanical study of He + H2 -> He + H + H in the energy range 5 -10 eV", Chem. Phys. Lett., 288, 311 (1998)
  44. [A05] K. Nobusada, K. Moribayashi and H. Nakamura, "Quantum dynamics of O(3P) + HCl -> OH + Cl. Effects of reagent rotational excitation", J. Chem. Soc., Faraday Trans., 93(5), 721 (1997)
  45. [A04] K. Nobusada and K. Sakimoto, "Three-dimensional calculations of collision-induced dissociation in He + H2 using infinite-order-sudden approximation", J. Chem. Phys., 106(22), 9078 (1997)
  46. [A03] K. Nobusada and K. Sakimoto, "A quantum mechanical study of dissociative He + H2 collisions", Chem. Phys., 197, 147 (1995)
  47. [A02] K. Nobusada, K. Sakimoto and K. Onda, "A close-coupling study of collision-induced dissociation in He + H2", Chem. Phys. Lett., 233, 399 (1995)
  48. [A01] K. Nobusada, K. Sakimoto and K. Onda, "Quantum mechanical close coupling calculations of collision-induced dissociation in He + H2. A discretized continuum model", Chem. Phys. Lett., 216, 613 (1993)
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