former Laboratory of Theoretical Chemistry

2021

1. • "Engineering quantum wave-packet dispersion with a strong nonresonant femtosecond laser pulse",
   • H. Katsuki, Y. Ohtsuki, T. Ajiki, H. Goto and K. Ohmori,
   • Phys. Rev. Research
   • 3,
   • 043021
   • (2021).
2. • "Optimal control for suppressing wave-packet spreading with strong nonresonant laser pulses",
   • Y. Ohtsuki, T. Namba, H. Katsuki and K. Ohmori,
   • Phys. Rev. A
   • 104,
   • 033107
   • (2021).
3. • "Manipulation of Multielectron Dynamics of Molecules by Fourier-Synthesized Intense Laser Pulses: Effective Potential Analysis of CO",
   • S. Ohmura, H. Ohmura, T. Kato and H. Kono,
   • Front. Phys.
   • 9,
   • 677671
   • (2021).
4. • "Quantum Control of Coherent π-Electron Dynamics in Aromatic Ring Molecules",
   • H. Mineo, N. Phan and Y. Fujimura,
   • Front. Phys.
   • 9,
   • 675134
   • (2021).
5. • "Ultrafast Ring-Opening Reaction of 1,3-Cyclohexadiene: Identification of Nonadiabatic Pathway via Doubly Excited State",
   • S. Karashima, A. Humeniuk, R. Uenishi, T. Horio, M. Kanno, T. Ohta, J. Nishitani, R. Mitrić and T. Suzuki,
   • J. Am. Chem. Soc.
   • 143,
   • 8034-8045
   • (2021).
6. • "Identification of an ultrafast internal conversion pathway of pyrazine by time-resolved vacuum ultraviolet photoelectron spectrum simulations",
   • M. Kanno, B. Mignolet, F. Remacle and H. Kono,
   • J. Chem. Phys.
   • 154,
   • 224304
   • (2021).
7. • "A fast and robust trajectory surface hopping method: Application to the intermolecular photodissociation of a carbon dioxide dimer cation (CO₂)₂⁺",
   • M. Kanno, T. Maeda, Y. Nakashima, F. Misaizu and H. Kono,
   • J. Chem. Phys.
   • 154,
   • 164108
   • (2021).
8. • "Theoretical Study of Dynamic Stark-Induced π-Electron Rotations in Low-Symmetry Aromatic Ring Molecules beyond the Frozen Nuclear Approximation",
   • H. Mineo, N. L. Phan, D. K. La and Y. Fujimura,
   • J. Phys. Chem. A
   • 125,
   • 1476-1489
   • (2021).
9. • "Effects of Electron Correlation on the Intense Field Ionization of Molecules: Effective Potentials of Time-Dependent Natural Orbitals",
   • H. Kono, S. Ohmura, T. Kato, H. Ohmura and S. Koseki,
   • in "Progress in Ultrafast Intense Laser Science XVI",
   • edited by K. Yamanouchi, K. Midorikawa and L. Roso,
   • Springer,
   • (2021)
   • 83-107 .

2020

1. • "Synthesis, Structure and Physical Properties of (trans-TTF-py₂)_1.5(PF₆)^.EtOH: A Molecular Conductor with Weak CH^...N Hydrogen Bondings",
   • S. Koyama, M. Kawai, S. Takaishi, M. Yamashita, N. Hoshino, T. Akutagawa, M. Kanno and H. Iguchi,
   • Crystals
   • 10,
   • 1081
   • (2020).
2. • "Analysis of the multielectron dynamics in intense laser-induced ionization of CO by the time-dependent effective potentials for natural orbitals",
   • S. Ohmura, T. Kato, H. Ohmura, S. Koseki and H. Kono,
   • J. Phys. B: At. Mol. Opt. Phys.
   • 53,
   • 184001
   • (2020).
3. • "Machine-learning approach for constructing control landscape maps of three-dimensional alignment of asymmetric-top molecules",
   • T. Namba, M. Yoshida and Y. Ohtsuki,
   • J. Chem. Phys.
   • 153,
   • 024120
   • (2020).
4. • "Time-dependent effective potential for the ultrafast correlated electron dynamics of molecules in intense laser fields: Application to anisotropic ionization of CO",
   • H. Kono, S. Ohmura, T. Kato, H. Ohmura and S. Koseki,
   • J. Phys: Conf. Ser.
   • 1412,
   • 042004
   • (2020).
5. • "Ionization and dissociation dynamics of H₂O in ultrashort intense near-IR laser fields by the time-dependent adiabatic state method and the time-dependent configuration interaction method",
   • S. Koh, K. Yamazaki, M. Kanno, H. Kono and K. Yamanouchi,
   • Chem. Phys. Lett.
   • 742,
   • 137165
   • (2020).
6. • "On the validity of the independent interaction model for generation of dynamic Stark-induced degenerate states in chiral aromatic ring molecules",
   • H. Mineo, G. S. Kim, S. H. Lin and Y. Fujimura,
   • Chem. Phys. Lett.
   • 741,
   • 137124
   • (2020).

2019

1. • "Locally optimized control pulses with nonlinear interactions",
   • Y. Ohtsuki, T. Namba,
   • J. Chem. Phys.
   • 151,
   • 164107
   • (2019).
2. • "Capturing the photo-induced dynamics of nano-molecules by X-ray free electron laser induced Coulomb explosion",
   • K. Yamazaki, N. Niitsu, M. Kanno, K. Ueda and H. Kono,
   • J. Chem. Phys.
   • 151,
   • 124305
   • (2019).
3. • "Dynamic Stark-Induced Coherent π-Electron Rotations in a Chiral Aromatic Ring Molecule: Application to Phenylalanine",
   • H. Mineo, G. S. Kim, S. H. Lin and Y. Fujimura,
   • J. Phys. Chem. A
   • 123,
   • 6399-6410
   • (2019).
4. • "Real-time observation of X-ray-induced intramolecular and interatomic electronic decay in CH₂I₂",
   • H. Fukuzawa, T. Takanashi, E. Kukk, K. Motomura, S. Wada, K. Nagaya, Y. Ito, T. Nishiyama, C. Nicolas, Y. Kumagai, D. Iablonskyi, S. Mondal, T. Tachibana, D. You, S. Yamada, Y. Sakakibara, K. Asa, Y. Sato, T. Sakai, K. Matsunami, T. Umemoto, K. Kariyazono, S. Kajimoto, H. Sotome, P. Johnsson, M. S. Schöffler, G. Kastirke, K. Kooser, X. Liu, T. Asavei, L. Neagu, S. Molodtsov, K. Ochiai, M. Kanno, K. Yamazaki, S. Owada, K. Ogawa, T. Katayama, T. Togashi, K. Tono, M. Yabashi, A. Ghosh, K. Gokhberg, L. S. Cederbaum, A. I. Kuleff, H. Fukumura, N. Kishimoto, A. Rudenko, C. Miron, H. Kono and K. Ueda,
   • Nat. Commun.
   • 10,
   • 2186
   • (2019).
5. • "Diffractive Imaging of C₆₀ Structural Deformations Induced by Intense Femtosecond Midinfrared Laser Fields",
   • H. Fuest, Y. H. Lai, C. I. Blaga, K. Suzuki, J. Xu, P. Rupp, H. Li, P. Wnuk, P. Agostini, K. Yamazaki, M. Kanno, H. Kono, M. F. Kling and L. F. DiMauro,
   • Phys. Rev. Lett.
   • 122,
   • 053002
   • (2019).
6. • "Unbiased Rotational Motions of an Ellipsoidal Guest in a Tight Yet Pliable Host",
   • Z. Sun, T. Mio, T. Okada, T. Matsuno, S. Sato, H. Kono and H. Isobe,
   • Angew. Chem. Int. Ed.
   • 58,
   • 2040-2044
   • (2019).
7. • "Visible photodissociation of the CO₂ dimer cation: fast and slow dissociation dynamics in the excited state",
   • Y. Nakashima, K. Okutsu, K. Fujimoto, Y. Ito, M. Kanno, M. Nakano, K. Ohshimo, H. Kono and F. Misaizu,
   • Phys. Chem. Chem. Phys.
   • 21,
   • 3083-3091
   • (2019).

2018

1. • "Laser-Control of Ultrafast π-Electron Ring Currents in Aromatic Molecules: Roles of Molecular Symmetry and Light Polarization",
   • M. Kanno, H. Kono and Y. Fujimura,
   • Appl. Sci.
   • 8,
   • 2347
   • (2018).
2. • "An efficient approximate algorithm for nonadiabatic molecular dynamics",
   • K. Hanasaki, M. Kanno, T. A. Niehaus and H. Kono,
   • J. Chem. Phys.
   • 149,
   • 244117
   • (2018).
3. • "Optimal Control Approaches for Aligning/Orienting Asymmetric Top Molecules",
   • Y. Ohtsuki, M. Yoshida and Y. Arakawa,
   • in "Progress in Ultrafast Intense Laser Science XIV",
   • edited by K. Yamanouchi, P. Martin, M. Sentis, L. Ruxin and D. Normand,
   • Springer,
   • (2018)
   • 65-79 .
4. • "Ultrafast nonradiative transition pathways in photo-excited pyrazine: Ab initio analysis of time-resolved vacuum ultraviolet photoelectron spectrum",
   • B. Mignolet, M. Kanno, N. Shimakura, S. Koseki, F. Remacle, H. Kono and Y. Fujimura,
   • Chem. Phys.
   • 515,
   • 704-709
   • (2018).
5. • "Three-dimensional alignment of asymmetric-top molecules induced by polarization-shaped optimal laser pulses",
   • M. Yoshida, N. Takemoto and Y. Ohtsuki,
   • Phys. Rev. A
   • 98,
   • 053434
   • (2018).
6. • "Automatic spatial extension of a time-dependent wavefunction expanded in terms of Gaussians: Application to multidimensional tunneling",
   • Y. Arai, K. Suzuki, M. Kanno and H. Kono,
   • Chem. Phys. Lett.
   • 708,
   • 170-176
   • (2018).
7. • "Quantum Design for Ultrafast Probing of Molecular Chirality through Enantiomer-Specific Coherent π-Electron Angular Momentum",
   • H. Mineo, G. S. Kim, S. H. Lin and Y. Fujimura,
   • J. Phys. Chem. Lett.
   • 9,
   • 5521-5526
   • (2018).
8. • "Application of optimal control simulation to selective photodissociation of IBr by non-resonant dynamic Stark effects",
   • T. Tashiro, M. Yoshida and Y. Ohtsuki,
   • J. Chem. Phys.
   • 149,
   • 064302
   • (2018).
9. • "Time-dependent Multiconfigurational Theories of Electronic and Nuclear Dynamics of Molecules in Intense Laser Fields",
   • T. Kato, K. Yamanouchi and H. Kono,
   • in "Attosecond Molecular Dynamics",
   • edited by M. J. J. Vrakking, F. Lepine,
   • Royal Society of Chemistry,
   • (2018)
   • 139-182 .
10. • "Pulse shape and molecular orientation determine the attosecond charge migration in Caffeine",
    • T. A. Niehaus, M. Meziane, F. Lepine, A. Marciniak, K. Yamazaki and H. Kono,
    • Eur. Phys. J. B
    • 91,
    • 152
    • (2018).
11. • "Magnetism-tuning strategies for graphene oxide based on magnetic oligoacene oxide patches model",
    • Y. Wen, C. L. Yen, L. Yan, H. Kono, S. H. Lin and Y. C. Ling,
    • Phys. Chem. Chem. Phys.
    • 20,
    • 3678-3686
    • (2018).
12. • "A single-electron picture based on the multiconfiguration time-dependent Hartree-Fock method: application to the anisotropic ionization and subsequent high-harmonic generation of the CO molecule",
    • S. Ohmura, T. Kato, T. Oyamada, S. Koseki, H. Ohmura and H. Kono,
    • J. Phys. B: At. Mol. Opt. Phys.
    • 51,
    • 034001
    • (2018).

2017

1. • "Quantum control of coherent π-electron ring currents in polycyclic aromatic hydrocarbons",
   • H. Mineo, Y. Fujimura,
   • J. Chem. Phys.
   • 147,
   • 224301
   • (2017).
2. • "Single-active-electron analysis of laser-polarization effects on atomic/molecular multiphoton excitation",
   • M. Kanno, N. Inada and H. Kono,
   • J. Chem. Phys.
   • 147,
   • 154310
   • (2017).
3. • "A crystalline molecular gyrotop with a biphenylene dirotor and its temperature-dependent birefringence",
   • A. Fujiwara, Y. Inagaki, H. Momma, E. Kwon, K. Yamaguchi, M. Kanno, H. Kono and W. Setaka,
   • CrystEngComm
   • 19,
   • 6049-6056
   • (2017).
4. • "Ultrafast Coulomb explosion of a diiodomethane molecule induced by an X-ray free-electron laser pulse",
   • T. Takanashi, K. Nakamura, E. Kukk, K. Motomura, H. Fukuzawa, K. Nagaya, S. Wada, Y. Kumagai, D. Iablonskyi, Y. Ito, Y. Sakakibara, D. You, T. Nishiyama, K. Asa, Y. Sato, T. Umemoto, K. Kariyazono, K. Ochiai, M. Kanno, K. Yamazaki, K. Kooser, C. Nicolas, C. Miron, T. Asavei, L. Neagu, M. Schöffler, G. Kastirke, X. J. Liu, A. Rudenko, S. Owada, T. Katayama, T. Togashi, K. Tono, M. Yabashi, H. Kono and K. Ueda,
   • Phys. Chem. Chem. Phys.
   • 19,
   • 19707-19721
   • (2017).
5. • "Quantum Design of π-Electron Ring Currents in Polycyclic Aromatic Hydrocarbons: Parallel and Antiparallel Ring Currents in Naphthalene",
   • H. Mineo, Y. Fujimura,
   • J. Phys. Chem. Lett.
   • 8,
   • 2019-2025
   • (2017).
6. • "Selective bond breaking of CO₂ in phase-locked two-color intense laser fields: laser field intensity dependence",
   • T. Endo, H. Fujise, Y. Kawachi, A. Ishihara, A. Matsuda, M. Fushitani, H. Kono and A. Hishikawa,
   • Phys. Chem. Chem. Phys.
   • 19,
   • 3550-3556
   • (2017).
7. • "Laser Control of Chemical Reactions: Theoretical/Computational Approaches",
   • Y. Ohtsuki,
   • in "Reference Module in Chemistry, Molecular Sciences and Chemical Engineering",
   • Elsevier,
   • (2017)
   • 11616 .
8. • "Isotope-selective molecular alignment induced by optimal laser pulses",
   • K. Nakashima, M. Yoshida, T. Nakajima and Y. Ohtsuki,
   • Mol. Phys.
   • 115,
   • 1730-1739
   • (2017).
9. • "Laser manipulation of localised π-electron rotations in a molecule with two aromatic rings",
   • M. Yamaki, Y. Teranishi, S. H. Lin and Y. Fujimura,
   • Mol. Phys.
   • 115,
   • 1880-1888
   • (2017).

2016

1. • "Femtosecond charge and molecular dynamics of I-containing organic molecules induced by intense X-ray freeelectron laser pulses",
   • K. Nagaya, K. Motomura, E. Kukk, Y. Takahashi, K. Yamazaki, S. Ohmura, H. Fukuzawa, S. Wada, S. Mondal, T. Tachibana, Y. Ito, R. Koga, T. Sakai, K. Matsunami, K. Nakamura, M. Kanno, A. Rudenko, C. Nicolas, X. J. Liu, C. Miron, Y. Zhang, Y. Jiang, J. Chen, M. Anand, D. E. Kim, K. Tono, M. Yabashi, M. Yao, H. Kono and K. Ueda,
   • Faraday Discuss.
   • 194,
   • 537-562
   • (2016).
2. • "Stark Spectroscopy of Absorption and Emission of Indoline Sensitizers: A Correlation with the Performance of Photovoltaic Cells",
   • N. Ohta, K. Awasthi, K. Okoshi, K. Manseki, H. Miura, Y. Inoue, K. Nakamura, H. Kono and E. W. G. Diau,
   • J. Phys. Chem. C
   • 120,
   • 26206-26216
   • (2016).
3. • "Induction of unidirectional π-electron rotations in low-symmetry aromatic ring molecules using two linearly polarized stationary lasers",
   • H. Mineo, M. Yamaki, G. S. Kim, Y. Teranishi, S. H. Lin and Y. Fujimura,
   • Phys. Chem. Chem. Phys.
   • 18,
   • 26786-26795
   • (2016).
4. • "Fragmentation network of doubly charged methionine: Interpretation using graph theory",
   • D. T. Ha, K. Yamazaki, Y. Wang, M. Alcamí, S. Maeda, H. Kono, F. Martín and E. Kukk,
   • J. Chem. Phys.
   • 145,
   • 094302
   • (2016).
5. • "Optimal control approaches for aligning/orienting linear molecules",
   • Y. Ohtsuki, M. Yoshida, K. Nakashima, K. Arai and K. Nakajima,
   • in "Advances in Multi-Photon Processes and Spectroscopy Vol. 23",
   • edited by S. H. Lin, A. A. Villaeys and Y. Fujimura,
   • World Scientific,
   • (2016)
   • 55-96 .
6. • "Ultrafast Dynamics of a Nucleobase Analogue Illuminated by a Short Intense X-ray Free Electron Laser Pulse",
   • K. Nagaya, K. Motomura, E. Kukk, H. Fukuzawa, S. Wada, T. Tachibana, Y. Ito, S. Mondal, T. Sakai, K. Matsunami, R. Koga, S. Ohmura, Y. Takahashi, M. Kanno, A. Rudenko, C. Nicolas, X. J. Liu, Y. Zhang, J. Chen, M. Anand, Y. H. Jiang, D. E. Kim, K. Tono, M. Yabashi, H. Kono, C. Miron, M. Yao and K. Ueda,
   • Phys. Rev. X
   • 6,
   • 021035
   • (2016).
7. • "Coincidence momentum imaging of asymmetric Coulomb explosion of CO₂ in phase-locked two-color intense laser fields",
   • T. Endo, H. Fujise, A. Matsuda, M. Fushitani, H. Kono and A. Hishikawa,
   • J. Electron Spectrosc. Relat. Phenom.
   • 207,
   • 50-54
   • (2016).
8. • "Quantum Control of Coherent π-Electron Dynamics in Chiral Aromatic Molecules",
   • M. Yamaki, H. Mineo, Y. Teranishi, S. H. Lin and Y. Fujimura,
   • J. Chin. Chem. Soc.
   • 63,
   • 87-92
   • (2016).
9. • "The generation of stationary π-electron rotations in chiral aromatic ring molecules possessing non-degenerate excited states",
   • M. Yamaki, Y. Teranishi, H. Nakamura, S. H. Lin and Y. Fujimura,
   • Phys. Chem. Chem. Phys.
   • 18,
   • 1570-1577
   • (2016).

2015

1. • "Reduced-dynamics approach for optimally designing unitary transformations",
   • K. Arai, Y. Ohtsuki,
   • Phys. Rev. A
   • 92,
   • 062302
   • (2015).
2. • "Modulation of Energy Conversion Processes in Carbonaceous Molecular Bearings",
   • S. Hitosugi, K. Ohkubo, Y. Kawashima, T. Matsuno, S. Kamata, K. Nakamura, H. Kono, S. Sato, S. Fukuzumi and H. Isobe,
   • Chem. Asian J.
   • 10,
   • 2404-2410
   • (2015).
3. • "Mechanism and Experimental Observability of Global Switching Between Reactive and Nonreactive Coordinates at High Total Energies",
   • H. Teramoto, M. Toda, M. Takahashi, H. Kono and T. Komatsuzaki,
   • Phys. Rev. Lett.
   • 115,
   • 093003
   • (2015).
4. • "Quantum-mechanical approach to predissociation of water dimers in the vibrational adiabatic representation: Importance of channel interactions",
   • H. Mineo, Y. L. Niu, J. L. Kuo, S. H. Lin and Y. Fujimura,
   • J. Chem. Phys.
   • 143,
   • 084303
   • (2015).
5. • "Control of molecular orientation with combined near-single-cycle THz and optimally designed non-resonant laser pulses: Carrier-envelope phase effects",
   • M. Yoshida, Y. Ohtsuki,
   • Chem. Phys. Lett.
   • 633,
   • 169-174
   • (2015).
6. • "Theoretical studies on a carbonaceous molecular bearing: association thermodynamics and dual-mode rolling dynamics",
   • H. Isobe, K. Nakamura, S. Hitosugi, S. Sato, H. Tokoyama, H. Yamakado, K. Ohno and H. Kono,
   • Chem. Sci.
   • 6,
   • 2746-2753
   • (2015).
7. • "Application of stochastic Liouville-von Neumann equation to electronic energy transfer in FMO complex",
   • H. Imai, Y. Ohtsuki and H. Kono,
   • Chem. Phys.
   • 446,
   • 134-141
   • (2015).
8. • "Ab initio quantum dynamical analysis of ultrafast nonradiative transitions via conical intersections in pyrazine",
   • M. Kanno, Y. Ito, N. Shimakura, S. Koseki, H. Kono and Y. Fujimura,
   • Phys. Chem. Chem. Phys.
   • 17,
   • 2012-2024
   • (2015).
9. • "Ab Initio Quantum Dynamical Study on Ultrafast Nonradiative Transition Pathways of Pyrazine",
   • M. Kanno, Y. Ito, N. Shimakura, S. Koseki, H. Kono and Y. Fujimura,
   • in "Ultrafast Phenomena XIX",
   • edited by K. Yamanouchi, S. Cundiff, R. D. Vivie-Riedle, M. Kuwata-Gonokami and L. DiMauro,
   • Springer,
   • (2015)
   • 176-179 .

2014

1. • "Vibrational effects on UV/Vis laser-driven π-electron ring currents in aromatic ring molecules",
   • H. Mineo, S. H. Lin and Y. Fujimura,
   • Chem. Phys.
   • 442,
   • 103-110
   • (2014).
2. • "Synthesis of Crystalline Molecular Gyrotops and Phenylene Rotation inside the Cage",
   • W. Setaka, K. Inoue, S. Higa, S. Yoshigai, H. Kono and K. Yamaguchi,
   • J. Org. Chem.
   • 79,
   • 8288-8295
   • (2014).
3. • "Characterization of multielectron dynamics in molecules: A multiconfiguration time-dependent Hartree-Fock picture",
   • S. Ohmura, H. Kono, T. Oyamada, T. Kato, K. Nakai and S. Koseki,
   • J. Chem. Phys.
   • 141,
   • 114105
   • (2014).
4. • "Two-step explosion processes of highly charged fullerene cations C₆₀^q+ (q = 20-60)",
   • K. Yamazaki, T. Nakamura, N. Niitsu, M. Kanno, K. Ueda and H. Kono,
   • J. Chem. Phys.
   • 141,
   • 121105
   • (2014).
5. • "Orienting CO molecules with an optimal combination of THz and laser pulses: Optimal control simulation with specified pulse amplitude and fluence",
   • M. Yoshida, Y. Ohtsuki,
   • Phys. Rev. A
   • 90,
   • 013415
   • (2014).
6. • "Quantum Localization of Coherent π-Electron Angular Momentum in (P)-2,2'-biphenol",
   • M. Yamaki, H. Mineo, Y. Teranishi, M. Hayashi, Y. Fujimura, H. Nakamura and S. H. Lin,
   • J. Phys. Chem. Lett.
   • 5,
   • 2044-2049
   • (2014).
7. • "Photoinduced Electron Transfer in a Dynamic Supramolecular System with Curved π-Structures",
   • S. Hitosugi, K. Ohkubo, R. Iizuka, Y. Kawashima, K. Nakamura, S. Sato, H. Kono, S. Fukuzumi and H. Isobe,
   • Org. Lett.
   • 16,
   • 3352-3355
   • (2014).
8. • "Electroabsorption and electrophotoluminescence spectra of some subphthalocyanines",
   • K. Awasthi, K. Nakamura, H. Kono, N. Kobayashi and N. Ohta,
   • Chem. Phys. Lett.
   • 599,
   • 163-168
   • (2014).
9. • "Molecular Orbital Analysis of High Harmonic Generation",
   • S. Ohmura, T. Oyamada, T. Kato, H. Kono and S. Koseki,
   • JPS Conf. Proc.
   • 1,
   • 013087
   • (2014).
10. • "Theoretical/numerical study on strong-laser-induced interference in the B state of I₂",
    • Y. Ohtsuki, H. Goto, H. Katsuki and K. Ohmori,
    • Phys. Chem. Chem. Phys.
    • 16,
    • 5689-5697
    • (2014).
11. • "Nonadiabatically Coupled π-Electron Rotation and Molecular Vibration in Aromatic Molecules Excited by Polarized UV/Vis Laser Pulses",
    • M. Kanno, Y. Ono, H. Kono and Y. Fujimura,
    • Chin. J. Phys.
    • 52,
    • 617-651
    • (2014).
12. • "1,4-Disilacyclohexa-2,5-diene: a molecular building block that allows for remarkably strong neutral cyclic cross-hyperconjugation",
    • J. Tibbelin, A. Wallner, R. Emanuelsson, F. Heijkenskjöld, M. Rosenberg, K. Yamazaki, D. Nauroozi, L. Karlsson, R. Feifel, R. Pettersson, J. Baumgartner, S. Ott and H. Ottosson,
    • Chem. Sci.
    • 5,
    • 360-371
    • (2014).

2013

1. • "Non-Markovian response of ultrafast coherent electronic ring currents in chiral aromatic molecules in a condensed phase",
   • H. Mineo, S. H. Lin, Y. Fujimura, J. Xu, R. X. Xu and Y. J. Yan,
   • J. Chem. Phys.
   • 139,
   • 214306
   • (2013).
2. • "Long-lived neutral H₂ in hydrogen migration within methanol dication",
   • K. Nakai, T. Kato, H. Kono and K. Yamanouchi,
   • J. Chem. Phys.
   • 139,
   • 181103
   • (2013).
3. • "Nuclear Flux Densities during a Model Pericyclic Reaction with Energies Well Above and Below the Potential Barrier",
   • T. Bredtdmann, H. Kono, J. Manz, K. Nakamura and C. Stemmle,
   • ChemPhysChem
   • 14,
   • 1397-1404
   • (2013).
4. • "Coherent π-electron dynamics of (P)-2,2'-biphenol induced by ultrashort linearly polarized UV laser pulses: Angular momentum and ring current",
   • H. Mineo, S. H. Lin and Y. Fujimura,
   • J. Chem. Phys.
   • 138,
   • 074304
   • (2013).
5. • "Neutral-Fragmentation Paths of Methane Induced by Intense Ultrashort IR Laser Pulses: Ab Initio Molecular Orbital Approach",
   • S. Koseki, N. Shimakura, Y. Teranishi, S. H. Lin and Y. Fujimura,
   • J. Phys. Chem. A
   • 117,
   • 333-341
   • (2013).
6. • "Coherent ring currents in chiral aromatic molecules induced by linearly polarized UV laser pulses",
   • M. Kanno, H. Kono, H. Mineo, S. H. Lin and Y. Fujimura,
   • in "Materials and Applications for Sensors and Transducers II",
   • edited by E. Hristoforou, D. S. Vlachos,
   • Trans Tech Publications,
   • (2013)
   • 381-384 .

2012

1. • "Application of Density Matrix Methods to Ultrafast Processes",
   • Y. L. Niu, C. K. Lin, C. Y. Zhu, H. Mineo, S. D. Chao, Y. Fujimura, M. Hayashi and S. H. Lin,
   • in "Quantum Systems in Chemistry and Physics: Progress in Methods and Applications",
   • edited by K. Nishikawa, J. Maruani, E. J. Brändas, G. Delgado-Barrio and P. Piecuch,
   • Springer,
   • (2012)
   • 79-108 .
2. • "Laser-Induced Electronic and Nuclear Coherent Motions in Chiral Aromatic Molecules",
   • M. Kanno, H. Kono, S. H. Lin and Y. Fujimura,
   • in "Quantum Systems in Chemistry and Physics: Progress in Methods and Applications",
   • edited by K. Nishikawa, J. Maruani, E. J. Brändas, G. Delgado-Barrio and P. Piecuch,
   • Springer,
   • (2012)
   • 121-148 .
3. • "Simulation of Nuclear Dynamics of C₆₀: From Vibrational Excitation by Near-IR Femtosecond Laser Pulses to Subsequent Nanosecond Rearrangement and Fragmentation",
   • N. Niitsu, M. Kikuchi, H. Ikeda, K. Yamazaki, M. Kanno, H. Kono, K. Mitsuke, M. Toda, K. Nakai and S. Irle,
   • in "Quantum Systems in Chemistry and Physics: Progress in Methods and Applications",
   • edited by K. Nishikawa, J. Maruani, E. J. Brändas, G. Delgado-Barrio and P. Piecuch,
   • Springer,
   • (2012)
   • 149-177 .
4. • "Optimal Control Simulation of Field-Free Molecular Orientation: Alignment-Enhanced Molecular Orientation",
   • K. Nakajima, H. Abe and Y. Ohtsuki,
   • J. Phys. Chem. A
   • 116,
   • 11219-11227
   • (2012).
5. • "Laser-Polarization Effects on Coherent Vibronic Excitation of Molecules with Quasi-Degenerate Electronic States",
   • M. Kanno, Y. Ono, H. Kono and Y. Fujimura,
   • J. Phys. Chem. A
   • 116,
   • 11260-11272
   • (2012).
6. • "Electronic Excited State Paths of Stone-Wales Rearrangement in Pyrene: Roles of Conical Intersections",
   • K. Yamazaki, N. Niitsu, K. Nakamura, M. Kanno and H. Kono,
   • J. Phys. Chem. A
   • 116,
   • 11441-11450
   • (2012).
7. • "Theoretical Investigation of the Structures and Dynamics of Crystalline Molecular Gyroscopes",
   • A. B. Marahatta, M. Kanno, K. Hoki, W. Setaka, S. Irle and H. Kono,
   • J. Phys. Chem. C
   • 116,
   • 24845-24854
   • (2012).
8. • "Quantum Switching of π-Electron Rotations in a Nonplanar Chiral Molecule by Using Linearly Polarized UV Laser Pulses",
   • H. Mineo, M. Yamaki, Y. Teranishi, M. Hayashi, S. H. Lin and Y. Fujimura,
   • J. Am. Chem. Soc. Commun.
   • 134,
   • 14279-14282
   • (2012).
9. • "Time-Dependent Multiconfiguration Theory and Its Application to Ultrafast Electronic Dynamics of Molecules in an Intense Laser Field",
   • T. Kato, T. Oyamada, H. Kono and S. Koseki,
   • in "Progress of Theoretical Physics Supplement",
   • edited by K. Hagino, N. Itagaki, Y. Kanada-En'yo, M. Matsuo, T. Nakatsukasa and M. Yamagami,
   • Progress of Theoretical Physics Publication Office,
   • (2012)
   • 16-38 .
10. • "Development of nonresonant optimal control simulation to include polarization effects of laser pulses",
    • H. Abe, Y. Ohtsuki,
    • Chem. Phys.
    • 400,
    • 13-18
    • (2012).
11. • "Nanosecond simulations of the dynamics of C₆₀ excited by intense near-infrared laser pulses: Impulsive Raman excitation, rearrangement, and fragmentation",
    • N. Niitsu, M. Kikuchi, H. Ikeda, K. Yamazaki, M. Kanno, H. Kono, K. Mitsuke, M. Toda and K. Nakai,
    • J. Chem. Phys.
    • 136,
    • 164304
    • (2012).
12. • "Density matrix method and ultrafast processes",
    • Y. L. Niu, C. K. Lin, C. Y. Zhu, H. Mineo, S. D. Chao, Y. Fujimura, M. Hayashi and S. H. Lin,
    • Sci. China Chem.
    • 55,
    • 579-593
    • (2012).
13. • "Theoretical Verification of Nonthermal Microwave Effects on Intramolecular Reactions",
    • M. Kanno, K. Nakamura, E. Kanai, K. Hoki, H. Kono and M. Tanaka,
    • J. Phys. Chem. A
    • 116,
    • 2177-2183
    • (2012).
14. • "Ultrafast coherent dynamics of nonadiabatically coupled quasi-degenerate excited states in molecules: Population and vibrational coherence transfers",
    • H. Mineo, M. Kanno, H. Kono, S. D. Chao, S. H. Lin and Y. Fujimura,
    • Chem. Phys.
    • 392,
    • 136-142
    • (2012).

2011

1. • "Attosecond control of dissociative ionization of O₂ molecules",
   • W. Siu, F. Kelkensberg, G. Gademann, A. Rouzee, P. Johnsson, D. Dowek, M. Lucchini, F. Calegari, U. D. Giovannini, A. Rubio, R. R. Lucchese, H. Kono, F. Lepine and M. J. J. Vrakking,
   • Phys. Rev. A
   • 84,
   • 063412
   • (2011).
2. • "Laser Control of Ultrafast Dynamics at Conical Intersections",
   • Y. Ohtsuki, W. Domcke,
   • in "Conical Intersections",
   • edited by W. Domcke, D. R. Yarkony and H. Köppel,
   • World Scientific,
   • (2011)
   • 569-600 .
3. • "Density Functional Theory Study of Conformation-Dependent Properties of Neutral and Radical Cationic L-Tyrosine and L-Tryptophan",
   • K. Y. Baek, Y. Fujimura, M. Hayashi, S. H. Lin and S. K. Kim,
   • J. Phys. Chem. A
   • 115,
   • 9658-9668
   • (2011).
4. • "Theoretical studies of microwave heating of dielectric liquid and magnetic crystal by classical and quantum mechanical molecular dynamics simulations",
   • M. Tanaka, H. Kono, K. Maruyama and Y. Zempo,
   • in "Microwave and RF Power Applications",
   • edited by J. W. Tao,
   • Cepadues,
   • (2011)
   • 185-188 .
5. • "Frequency-network mechanism for alignment of diatomic molecules by multipulse excitation",
   • H. Abe, Y. Ohtsuki,
   • Phys. Rev. A
   • 83,
   • 053410
   • (2011).
6. • "Control of π-Electron Rotations in Chiral Aromatic Molecules Using Intense Laser Pulses",
   • M. Kanno, H. Kono and Y. Fujimura,
   • in "Progress in Ultrafast Intense Laser Science VII",
   • edited by K. Yamanouchi, D. Charalambidis and D. Normand,
   • Springer,
   • (2011)
   • 53-78 .
7. • "How Do Molecules Behave in Intense Laser Fields? Theoretical Aspects",
   • H. Kono,
   • in "Lectures on Ultrafast Intense Laser Science 1",
   • edited by K. Yamanouchi,
   • Springer,
   • (2011)
   • 111-134 .
8. • "Path integral molecular dynamics simulation of quasi-free rotational motion of CO doped in a large para-hydrogen cluster",
   • Y. Mizumoto, Y. Ohtsuki,
   • Chem. Phys. Lett.
   • 501,
   • 304-307
   • (2011).

2010

1. • "Substituent Effects on the Electron Affinities and Ionization Energies of Tria-, Penta-, and Heptafulvenes: A Computational Investigation",
   • C. Dahlstrand, K. Yamazaki, K. Kristine and H. Ottosson,
   • J. Org. Chem.
   • 75,
   • 8060-8068
   • (2010).
2. • "Shape anisotropy induces rotations in optically trapped red blood cells",
   • K. Bambardekar, J. A. Dharmadhikari, A. K. Dharmadhikari, T. Yamada, T. Kato, H. Kono, Y. Fujimura, S. Sharma and D. Mathur,
   • J. Biomed. Opt.
   • 15,
   • 041504
   • (2010).
3. • "Investigation of Conformation-Dependent Properties of L-Phenylalanine in Neutral and Radical Cations by Using a Density Functional Taking into Account Noncovalent Interactions",
   • K. Y. Baek, M. Hayashi, Y. Fujimura, S. H. Lin and S. K. Kim,
   • J. Phys. Chem. A
   • 114,
   • 7583-7589
   • (2010).
4. • "Ultrafast Fourier Transform with a Femtosecond-Laser-Driven Molecule",
   • K. Hosaka, H. Shimada, H. Chiba, H. Katsuki, Y. Teranishi, Y. Ohtsuki and K. Ohmori,
   • Phys. Rev. Lett.
   • 104,
   • 180501
   • (2010).
5. • "Ultrafast radiationless transition pathways through conical intersections in photo-excited 9H-adenine",
   • W. M. I. Hassan, W. C. Chung, N. Shimakura, S. Koseki, H. Kono and Y. Fujimura,
   • Phys. Chem. Chem. Phys.
   • 12,
   • 5317-5328
   • (2010).
6. • "Simulating quantum search algorithm using vibronic states of I₂ manipulated by optimally designed gate pulses",
   • Y. Ohtsuki,
   • New J. Phys.
   • 12,
   • 045002
   • (2010).
7. • "Nonadiabatic Response Model of Laser-Induced Ultrafast π-Electron Rotations in Chiral Aromatic Molecules",
   • M. Kanno, H. Kono, Y. Fujimura and S. H. Lin,
   • Phys. Rev. Lett.
   • 104,
   • 108302
   • (2010).

2009

1. • "Time-dependent multiconfiguration theory for ultrafast electronic dynamics of molecules in an intense laser field: Electron correlation and energy redistribution among natural orbitals",
   • T. Kato, H. Kono,
   • Chem. Phys.
   • 366,
   • 46-53
   • (2009).
2. • "Substituent effects on conformational preference in α-fluorophenylacetic acid methyl ester model systems for chiral derivatizing agents",
   • R. Sahnoun, Y. Fujimura, K. Kabuto, Y. Takeuchi and R. Noyori,
   • J. Phys. Org. Chem.
   • 22,
   • 903-912
   • (2009).
3. • "Ionization of H₂⁺ and H₂ in intense laser fields: Excited state dynamics",
   • T. Kato, H. Kono, M. Kanno, Y. Fujimura and K. Yamanouchi,
   • Laser Phys.
   • 19,
   • 1712-1722
   • (2009).
4. • "Spin-orbit coupling effects in dihydrides of third-row transition elements. II. Interplay of nonadiabatic coupling in the dissociation path of rhenium dihydride",
   • S. Koseki, N. Shimakura, Y. Fujimura, T. Asada and H. Kono,
   • J. Chem. Phys.
   • 131,
   • 044122
   • (2009).
5. • "Selective heating mechanism of magnetic metal oxides by a microwave magnetic field",
   • M. Tanaka, H. Kono and K. Maruyama,
   • Phys. Rev. B
   • 79,
   • 104420
   • (2009).
6. • "Quantum dynamics of light-driven chiral molecular motors",
   • M. Yamaki, S. Nakayama, K. Hoki, H. Kono and Y. Fujimura,
   • Phys. Chem. Chem. Phys.
   • 11,
   • 1662-1678
   • (2009).
7. • "Wavepacket Dynamics of Molecules in Intense Laser Fields",
   • H. Kono, K. Nakai, M. Kanno, Y. Sato, S. Koseki, T. Kato and Y. Fujimura,
   • in "Progress in Ultrafast Intense Laser Science IV",
   • edited by K. Yamanouchi, A. Becker, R. Li and S. L. Chin,
   • Springer,
   • (2009)
   • 41-66 .

2008

1. • "Optimal alignment control of a nonpolar molecule through nonresonant multiphoton transitions",
   • K. Nakagami, Y. Mizumoto and Y. Ohtsuki,
   • J. Chem. Phys.
   • 129,
   • 194103
   • (2008).
2. • "Time-dependent multiconfiguration theory for electronic dynamics of molecules in intense laser fields: A numerical description in terms of numerical orbital functions",
   • T. Kato, H. Kono,
   • J. Chem. Phys.
   • 128,
   • 184102
   • (2008).
3. • "Quantum control of a chiral molecular motor driven by femtosecond laser pulses: Mechanisms of regular and reverse rotations",
   • M. Yamaki, K. Hoki, H. Kono and Y. Fujimura,
   • Chem. Phys.
   • 347,
   • 272-278
   • (2008).
4. • "Monotonically convergent algorithms for solving quantum optimal control problems of a dynamical system nonlinearly interacting with a control",
   • Y. Ohtsuki, K. Nakagami,
   • Phys. Rev. A
   • 77,
   • 033414
   • (2008).

2007

1. • "Theoretical Investigation of Ultrafast Dynamics of Molecules in Intense Laser Fields (in Japanese)",
   • H. Kono, K. Nakai and Y. Sato,
   • The Review of Laser Engineering
   • 35,
   • 691-696
   • (2007).
2. • "Quantum optimal control of electron ring currents in chiral aromatic molecules",
   • M. Kanno, K. Hoki, H. Kono and Y. Fujimura,
   • J. Chem. Phys.
   • 127,
   • 204314
   • (2007).
3. • "Ab initio molecular orbitals study of the conformational preference in α-fluorophenylacetic acid ester",
   • R. Sahnoun, Y. Fujimura, K. Kabuto, Y. Takeuchi and R. Noyori,
   • J. Org. Chem.
   • 72,
   • 7923-7929
   • (2007).
4. • "Optimal control of multi-photon isotope separation using ultra-short intense laser pulses: Density operator theory",
   • Y. Ohtsuki, Y. Fujimura,
   • Chem. Phys.
   • 338,
   • 285-290
   • (2007).
5. • "Ab initio molecular dynamics and wavepacket dynamics of highly charged fullerene cations produced with intense near-infrared laser pulses",
   • K. Nakai, H. Kono, Y. Sato, N. Niitsu, R. Sahnoun, M. Tanaka and Y. Fujimura,
   • Chem. Phys.
   • 338,
   • 127-134
   • (2007).
6. • "Theoretical design of an aromatic hydrocarbon rotor driven by a circularly polarized electric field",
   • M. Yamaki, K. Hoki, T. Teranishi, W. C. Chung, F. Pichierri, H. Kono and Y. Fujimura,
   • J. Phys. Chem. A
   • 111,
   • 9374-9378
   • (2007).
7. • "Ab initio molecular dynamics of highly charged fullerene cations in intense near-infrared laser fields",
   • H. Kono, K. Nakai and N. Niitsu,
   • in "Proc. of SPIE 2007",
   • (2007)
   • 672606 .
8. • "Optical Control of Chiral Molecular Motors",
   • K. Hoki, M. Yamaki and Y. Fujimura,
   • in "Progress in Ultrafast Intense Laser Science III",
   • edited by K. Yamanouchi, S. L. Chin, P. Agostini and G. Ferrante,
   • Springer,
   • (2007)
   • 93-112 .
9. • "Conical intersections involving the dissociative (1)π-\sigma^* state in 9H-adenine: a quantum chemical ab initio study",
   • W. C. Chung, Z. Lan, Y. Ohtsuki, N. Shimakura, W. Domcke and Y. Fujimura,
   • Phys. Chem. Chem. Phys.
   • 9,
   • 2075-2084
   • (2007).
10. • "Calculation of the cross section of epithermal neutron scattering from water by a time-dependent wavepacket approach",
    • S. Tanabe, K. Hoki, H. Kono and Y. Fujimura,
    • Chem. Phys. Lett.
    • 437,
    • 267-271
    • (2007).
11. • "Monotonically convergent algorithms for solving quantum optimal control problems described by an integrodifferential equation of motion",
    • Y. Ohtsuki, Y. Teranishi, P. Saalfrank, G. Turinici and H. Rabitz,
    • Phys. Rev. A
    • 75,
    • 033407
    • (2007).
12. • "Quantum Control of Chemical Reaction Dynamics and Molecular Functions",
    • M. Yamaki, M. Abe, Y. Ohtsuki, H. Kono and Y. Fujimura,
    • in "Photonic, Electronic and Atomic Collisions: Proceedings of the XXIV International Conference",
    • edited by P. D. Fainstein, M. A. P. Lima, J. E. Miraglia, E. C. Montenegro and R. D. Rivarola,
    • World Scientific,
    • (2007)
    • 79-86 .

2006

1. • "Control of π-Electron Rotation in Chiral Aromatic Molecules by Nonhelical Laser Pulses",
   • M. Kanno, H. Kono and Y. Fujimura,
   • Angew. Chem. Int. Ed.
   • 45,
   • 7995-7998
   • (2006).
2. • "Theoretical investigation of the stability of highly charged C₆₀ molecules produced with intense near-infrared laser pulses",
   • R. Sahnoun, K. Nakai, Y. Sato, H. Kono, Y. Fujimura and M. Tanaka,
   • J. Chem. Phys.
   • 125,
   • 184306
   • (2006).
3. • "Stability limit of highly charged C₆₀ cations produced with an intense long-wavelength laser pulse: Calculation of electronic structures by DFT and wavepacket simulation",
   • R. Sahnoun, K. Nakai, Y. Sato, H. Kono, Y. Fujimura and M. Tanaka,
   • Chem. Phys. Lett.
   • 430,
   • 167-172
   • (2006).
4. • "A binuclear Fe(III)Dy(III) single molecule magnet. Quantum effects and models",
   • M. Ferbinteanu, T. Kajiwara, K. Choi, H. Nojiri, A. Nakamoto, N. Kojima, F. Cimpoesu, Y. Fujimura, S. Takaishi and M. Yamashita,
   • J. Am. Chem. Soc. Commun.
   • 128,
   • 9008-9009
   • (2006).
5. • "Geometric phase effects in the coherent control of the branching ratio of photodissociation products of phenol",
   • M. Abe, Y. Ohtsuki, Y. Fujimura, Z. Lan and W. Domcke,
   • J. Chem. Phys.
   • 124,
   • 224316
   • (2006).
6. • "Optimal control in a dissipative system: Vibrational excitation of CO/Cu(100) by IR pulses",
   • S. Beyvers, Y. Ohtsuki and P. Saalfrank,
   • J. Chem. Phys.
   • 124,
   • 234706
   • (2006).
7. • "Hyperconjugative electron-delocalization mechanism controlling the conformational preference of fluoroacetaldehyde and methyl fluoroacetate",
   • R. Sahnoun, Y. Fujimura, K. Kabuto, Y. Takeuchi and R. Noyori,
   • Bull. Chem. Soc. Jpn.
   • 79,
   • 555-560
   • (2006).
8. • "Quantum control of molecular chirality: Ab initio molecular orbital study and wave packet analysis of 1,1'-binaphthyl",
   • K. Hoki, S. Koseki, T. Matsushita, R. Sahnoun and Y. Fujimura,
   • J. Photochem. Photobiol. A
   • 178,
   • 258-263
   • (2006).
9. • "Implementation of quantum gate operations in molecules with weak laser fields",
   • Y. Teranishi, Y. Ohtsuki, K. Hosaka, H. Chiba, H. Katsuki and K. Ohmori,
   • J. Chem. Phys.
   • 124,
   • 114110
   • (2006).
10. • "Theoretical Investigation on Electronic and Nuclear Dynamics of Molecules in Intense Laser Fields: Quantum Mechanical Wave Packet Approaches",
    • H. Kono, Y. Sato, M. Kanno, K. Nakai and T. Kato,
    • Bull. Chem. Soc. Jpn.
    • 79,
    • 196-227
    • (2006).
11. • "Density functional theoretical study on enantiomerization of 2,2'-biphenol",
    • R. Sahnoun, S. Koseki and Y. Fujimura,
    • J. Phys. Chem. A
    • 110,
    • 2440-2447
    • (2006).

2005

1. • "Optimal control of ultrafast cis-trans photoisomerization of retinal in rhodopsin via a conical intersection",
   • M. Abe, Y. Ohtsuki, Y. Fujimura and W. Domcke,
   • J. Chem. Phys.
   • 123,
   • 144508
   • (2005).
2. • "Incorporation of a wave-packet propagation method into the S-matrix framework: Investigation of the effects of excited state dynamics on intense-field ionization",
   • M. Kanno, T. Kato, H. Kono, Y. Fujimura and F. H. M. Faisal,
   • Phys. Rev. A
   • 72,
   • 033418
   • (2005).
3. • "Time-dependent density functional theory investigation of electric field effects on absorption spectra of meso-meso-linked zinc porphyrin arrays: Role of charge-transfer states",
   • K. Nakai, R. Sahnoun, T. Kato, H. Kono and Y. Fujimura,
   • J. Phys. Chem. B
   • 109,
   • 13921-13927
   • (2005).
4. • "Quantum control of a unidirectional rotations of a chiral molecular motor",
   • M. Yamaki, K. Hoki, Y. Ohtsuki, H. Kono and Y. Fujimura,
   • Phys. Chem. Chem. Phys.
   • 7,
   • 1900-1904
   • (2005).
5. • "Quantum control of a chiral molecular motor driven by laser pulses",
   • M. Yamaki, K. Hoki, Y. Ohtsuki, H. Kono and Y. Fujimura,
   • J. Am. Chem. Soc. Commun.
   • 127,
   • 7300-7301
   • (2005).
6. • "Simulating the Deutsch-Joza algorithm using vibrational states of I₂ excited by optimally designed gate pulses",
   • Y. Ohtsuki,
   • Chem. Phys. Lett.
   • 404,
   • 126-131
   • (2005).
7. • "Theoretical investigation of 1,1'-bi-2-naphthol isomerization",
   • R. Sahnoun, S. Koseki and Y. Fujimura,
   • J. Mol. Struct.
   • 735-736,
   • 315-324
   • (2005).

2004

1. • "Quantum control of a chiral molecular motor driven by linearly polarized laser pulses",
   • M. Yamaki, K. Hoki, Y. Ohtsuki, H. Kono and Y. Fujimura,
   • in "Ultrafast Phenomena XIV",
   • edited by T. Kobayashi, T. Okada, T. Kobayashi, K. A. Nelson and S. D. Silvestri,
   • Springer,
   • (2004)
   • 508-510 .
2. • "Numerical Synthesis of Optimal Laser Pulses for Manipulating Dissociation Wave Pckets of I₂^- in Water",
   • Y. Ohtsuki, Y. Nishiyama, T. Kato, H. Kono and Y. Fujimura,
   • in "Ultrafast Phenomena XIV",
   • edited by T. Kobayashi, T. Okada, T. Kobayashi, K. A. Nelson and S. D. Silvestri,
   • Springer,
   • (2004)
   • 512-513 .
3. • "Optimal Control of Femtosecond Photoisomerization of Retinal in Rhodopsin: Effects of Conical Intersections",
   • M. Abe, Y. Ohtsuki, Y. Fujimura and W. Domcke,
   • in "Ultrafast Phenomena XIV",
   • edited by T. Kobayashi, T. Okada, T. Kobayashi, K. A. Nelson and S. D. Silvestri,
   • Springer,
   • (2004)
   • 613-615 .
4. • "Quantum mechanical study of electronic and nuclear dynamics of molecules in intense laser fields",
   • H. Kono, Y. Sato, N. Tanaka, T. Kato, K. Nakai, S. Koseki and Y. Fujimura,
   • Chem. Phys.
   • 304,
   • 203-226
   • (2004).
5. • "Sequential pump-dump control of photoisomerization competing with photodissociation of optical isomers",
   • K. Hoki, L. González, M. F. Shibl and Y. Fujimura,
   • J. Phys. Chem. A
   • 108,
   • 6455-6463
   • (2004).
6. • "Optimal laser control of ultrafast photodissociation of I₂^- in water: Mixed quantum/classical molecular dynamics simulation",
   • Y. Nishiyama, T. Kato, Y. Ohtsuki and Y. Fujimura,
   • J. Chem. Phys.
   • 121,
   • 2685-2693
   • (2004).
7. • "Time-dependent multiconfiguration theory for electronic dynamics of molecules in an intense laser field",
   • T. Kato, H. Kono,
   • Chem. Phys. Lett.
   • 392,
   • 533-540
   • (2004).
8. • "Molecular alignment in a liquid induced by a nonresonant laser field: Molecular dynamics simulation",
   • J. Ohkubo, T. Kato, H. Kono and Y. Fujimura,
   • J. Chem. Phys.
   • 120,
   • 9123-9132
   • (2004).
9. • "Optimal control of quantum non-Markovian dissipation: Reduced Liouville-space theory",
   • R. Xu, Y. Yan, Y. Ohtsuki, Y. Fujimura and H. Rabitz,
   • J. Chem. Phys.
   • 120,
   • 6600-6608
   • (2004).
10. • "Chiral molecular motors ignited by femtosecond pump-dump laser pulses",
    • K. Hoki, M. Sato, M. Yamaki, R. Sahnoun, L. González, S. Koseki and Y. Fujimura,
    • J. Phys. Chem. B
    • 108,
    • 4916-4921
    • (2004).
11. • "Absorption, magnetic circular dichroism, IR spectra, electrochemistry, and molecular orbital calculations of monoaza- and opposite diazaporphyrins",
    • H. Ogata, T. Fukuda, K. Nakai, Y. Fujimura, S. Neya, P. A. Stuzhin and N. Kobayashi,
    • Eur. J. Inorg. Chem.
    • 1621-1629
    • (2004).
12. • "Quantum ignition of intramolecular rotation by means of IR + UV laser pulses",
    • Y. Fujimura, L. González, D. Kröner, J. Manz, I. Mehdaoui and B. Schmidt,
    • Chem. Phys. Lett.
    • 386,
    • 248-253
    • (2004).
13. • "Generalized monotonically convergent algorithms for solving quantum optimal control problems",
    • Y. Ohtsuki, G. Turinici and H. Rabitz,
    • J. Chem. Phys.
    • 120,
    • 5509-5517
    • (2004).

2003

1. • "Mechanism of unidirectional motions of chiral molecular motors driven by linearly polarized pulses",
   • K. Hoki, M. Yamaki, S. Koseki and Y. Fujimura,
   • J. Chem. Phys.
   • 119,
   • 12393-12398
   • (2003).
2. • "Description of molecular dynamics in intense laser fields by the time-dependent adiabatic state approach: Application to simultaneous two-bond dissociation of CO₂ and its control",
   • Y. Sato, H. Kono, S. Koseki and Y. Fujimura,
   • J. Am. Chem. Soc.
   • 125,
   • 8019-8031
   • (2003).
3. • "Chiral molecular motors driven by a nonhelical laser pulse",
   • K. Hoki, M. Yamaki and Y. Fujimura,
   • Angew. Chem. Int. Ed.
   • 42,
   • 2975-2978
   • (2003).
4. • "Non-Markovian effects on quantum optimal control of dissipative wave packet dynamics",
   • Y. Ohtsuki,
   • J. Chem. Phys.
   • 119,
   • 661-671
   • (2003).
5. • "Identification of the doorway states to ionization of molecules in intense laser fields",
   • H. Kono, Y. Sato, Y. Fujimura and I. Kawata,
   • Laser Phys.
   • 13,
   • 883-888
   • (2003).
6. • "Molecules in Intense Laser Fields: Nonlinear Multiphoton Spectroscopy and Near-Femtosecond to Sub-Femtosecond (Attosecond) Dynamics",
   • A. D. Bandrauk, H. Kono,
   • in "Advances in Multi-Photon Processes and Spectroscopy Vol. 15",
   • edited by S. H. Lin, A. A. Villaeys and Y. Fujimura,
   • World Scientific,
   • (2003)
   • 147-214 .
7. • "Quantum optimal control of wave packet dynamics under the influence of dissipation",
   • Y. Ohtsuki, K. Nakagami, W. Zhu and H. Rabitz,
   • Chem. Phys.
   • 287,
   • 197-216
   • (2003).
8. • "New quantum control pathway for a coupled-potential system",
   • Y. Ohtsuki, K. Ohara, M. Abe, K. Nakagami and Y. Fujimura,
   • Chem. Phys. Lett.
   • 369,
   • 525-533
   • (2003).
9. • "Adiabatic theory of infrared laser-induced predesorption of CO from a NaCl(100) surface",
   • K. Nakagami, Y. Ohtsuki, Y. Fujimura and S. H. Lin,
   • Phys. Chem. Chem. Phys.
   • 5,
   • 528-537
   • (2003).
10. • "Molecular motors driven by laser pulses: Role of molecular chirality and photon helicity",
    • K. Hoki, M. Yamaki, S. Koseki and Y. Fujimura,
    • J. Chem. Phys.
    • 118,
    • 497-504
    • (2003).
11. • "Dual transformation for non-Born-Oppenheimer time-dependent density functional theory",
    • Y. Ohta, J. Maki, H. Nagao, H. Kono and Y. Fujimura,
    • Int. J. Quantum Chem.
    • 91,
    • 105-112
    • (2003).

2002

1. • "Intense laser-field ionization of H₂^- enhanced by two-electron dynamics",
   • K. Harumiya, H. Kono, Y. Fujimura, I. Kawata and A. D. Bandrauk,
   • Phys. Rev. A
   • 66,
   • 043403
   • (2002).
2. • "Quantum optimal control of unbounded molecular dynamics: Application to NaI predissociation",
   • K. Nakagami, Y. Ohtsuki and Y. Fujimura,
   • J. Chem. Phys.
   • 117,
   • 6429-6438
   • (2002).
3. • "Quantum control of molecular chirality: Optical isomerization of difluorobenzo[c]phenanthrene",
   • H. Umeda, M. Takagi, S. Yamada, S. Koseki and Y. Fujimura,
   • J. Am. Chem. Soc.
   • 124,
   • 9265-9271
   • (2002).
4. • "Hybrid quantum control of photodesorption of NO from a metal surface",
   • K. Nakagami, Y. Ohtsuki and Y. Fujimura,
   • Chem. Phys. Lett.
   • 360,
   • 91-98
   • (2002).
5. • "Laser control of selective preparation of preoriented enantiomers from their racemate",
   • K. Hoki, Y. Fujimura,
   • in "Laser Control and Manipulation of Molecules",
   • edited by A. D. Bandrauk, Y. Fujimura and R. J. Gordon,
   • ACS,
   • (2002)
   • 32-46 .
6. • "Intense-laser-induced electron transfer and structure deformation of molecules",
   • H. Kono, S. Koseki,
   • in "Laser Control and Manipulation of Molecules",
   • edited by A. D. Bandrauk, Y. Fujimura and R. J. Gordon,
   • ACS,
   • (2002)
   • 267-284 .
7. • "Theory of stimulated Raman adiabatic passage in a degenerated reaction system: Application to control of molecular handedness",
   • Y. Ohta, K. Hoki and Y. Fujimura,
   • J. Chem. Phys.
   • 116,
   • 7509-7517
   • (2002).
8. • "Quantum control of molecular handedness in a randomly oriented racemic mixture using three polarization components of electric fields",
   • K. Hoki, L. González and Y. Fujimura,
   • J. Chem. Phys.
   • 116,
   • 8799-8802
   • (2002).
9. • "Control of molecular handedness using pump-dump laser pulses",
   • K. Hoki, L. González and Y. Fujimura,
   • J. Chem. Phys.
   • 116,
   • 2433-2438
   • (2002).

2001

1. • "Applicability of a classical local control method to a quantum system",
   • H. Umeda, Y. Fujimura,
   • Chem. Phys.
   • 274,
   • 231-241
   • (2001).
2. • "Mechanism of enhanced ionization of linear H₃^-(+) in intense laser fields",
   • I. Kawata, H. Kono and A. D. Bandrauk,
   • Phys. Rev. A
   • 64,
   • 043411
   • (2001).
3. • "Dynamical study on resonance by using a wave packet propagation method: Electron capture in collision of N⁵⁺ ions with H atoms",
   • N. Suzuki, N. Shimakura and H. Kono,
   • Phys. Scripta
   • T92,
   • 435-437
   • (2001).
4. • "Quantum control of molecular reaction dynamics by laser pulses: Development of theory and its application",
   • Y. Ohtsuki, M. Sugawara, H. Kono and Y. Fujimura,
   • Bull. Chem. Soc. Jpn.
   • 74,
   • 1167-1191
   • (2001).
5. • "Selective preparation of enantiomers from a racemate by laser pulses: model simulation for oriented atropisomers with coupled rotations and torsions",
   • K. Hoki, D. Kröner and J. Manz,
   • Chem. Phys.
   • 267,
   • 59-79
   • (2001).
6. • "Quantum control of alignment and orientation of molecules by optimized laser pulses",
   • K. Hoki, Y. Fujimura,
   • Chem. Phys.
   • 267,
   • 187-193
   • (2001).
7. • "A theoretical study of electronic dynamics and deformation of CO₂ in intense laser fields",
   • H. Kono, S. Koseki, M. Shiota and Y. Fujimura,
   • J. Phys. Chem. A
   • 105,
   • 5627-5636
   • (2001).
8. • "Quantum optimal control of multiple targets: Development of a monotonically convergent algorithm and application to intramolecular vibrational energy redistribution control",
   • Y. Ohtsuki, K. Nakagami, Y. Fujimura, W. Zhu and H. Rabitz,
   • J. Chem. Phys.
   • 114,
   • 8867-8876
   • (2001).
9. • "Quantum Control of Molecular Dynamics",
   • Y. Ohtsuki, K. Nakagami and Y. Fujimura,
   • in "Advances in Multi-Photon Processes and Spectroscopy Vol. 13",
   • edited by S. H. Lin, A. A. Villaeys and Y. Fujimura,
   • World Scientific,
   • (2001)
   • 1-127 .
10. • "Enhanced ionization of the two-electron molecule H₂^- in intense laser fields: Mechanism of the creation of doorway states",
    • I. Kawata, A. D. Bandrauk, H. Kono and Y. Fujimura,
    • Laser Phys.
    • 11,
    • 188-197
    • (2001).
11. • "Locally designed pulse shaping for selective preparation of enantiomers from their racemate",
    • K. Hoki, Y. Ohtsuki and Y. Fujimura,
    • J. Chem. Phys.
    • 114,
    • 1575-1581
    • (2001).

2000

1. • "From a racemate to a pure enantiomer by laser pulses: Quantum model simulations for H₂POSH",
   • Y. Fujimura, L. González, K. Hoki, D. Kröner, J. Manz and Y. Ohtsuki,
   • Angew. Chem. Int. Ed.
   • 39,
   • 4586-4588
   • (2000).
2. • "Selective preparation of enantiomers by laser pulses: From optimal control to specific pump and dump transitions",
   • L. González, K. Hoki, D. Kröner, A. S. Leal, J. Manz and Y. Ohtsuki,
   • J. Chem. Phys.
   • 113,
   • 11134-11142
   • (2000).
3. • "Exact two-electron wave packet dynamics of H₂^- in an intense laser field: Formation of localized ionic states H⁺H^-",
   • K. Harumiya, I. Kawata, H. Kono and Y. Fujimura,
   • J. Chem. Phys.
   • 113,
   • 8953-8960
   • (2000).
4. • "Effects of laser pulsewidth on higher-order harmonic generation in the barrier-suppression-ionization intensity regime",
   • M. Kakehata, H. Takada, K. Miyazaki, H. Kono, I. Kawata and Y. Fujimura,
   • Appl. Phys. B
   • 70,
   • 219-224
   • (2000).
5. • "Quantum control of chemical reaction dynamics in a classical way",
   • H. Umeda, Y. Fujimura,
   • J. Chem. Phys.
   • 113,
   • 3510-3518
   • (2000).
6. • "Intense-laser-field-enhanced ionization of two-electron molecules: Role of ionic states as doorway states",
   • I. Kawata, H. Kono, Y. Fujimura and A. D. Bandrauk,
   • Phys. Rev. A
   • 62,
   • 031401
   • (2000).

1999

1. • "Dual transformation for wave paket dynamics: Application to Coulomb systems",
   • I. Kawata, H. Kono,
   • J. Chem. Phys.
   • 111,
   • 9498-9508
   • (1999).
2. • "Quantum control of the photodissociation of sodium iodide",
   • K. Hoki, Y. Ohtsuki, H. Kono, Y. Fujimura and S. Koseki,
   • Bull. Chem. Soc. Jpn.
   • 72,
   • 2665-2671
   • (1999).
3. • "Magnetic field effects on the dynamics of a Rydberg electron: The residence time near the core",
   • H. Kono, T. Tazaki, I. Kawata and Y. Fujimura,
   • J. Chem. Phys.
   • 111,
   • 10895-10902
   • (1999).
4. • "Benzannelation effect on enediyne cycloaromatization: An ab initio molecular orbital study",
   • S. Koseki, Y. Fujimura and M. Hirama,
   • J. Phys. Chem. A
   • 103,
   • 7672-7675
   • (1999).
5. • "Quantum control of NaI predissociation in subpicosecond and several-picosecond time regimes",
   • K. Hoki, Y. Ohtsuki, H. Kono and Y. Fujimura,
   • J. Phys. Chem. A
   • 103,
   • 6301-6308
   • (1999).
6. • "High-resolution frequency analysis by the use of derivatives of the Fourier transform: Application to fluorescence quantum beats",
   • H. Kono, I. Kawata and N. Ohta,
   • Bull. Chem. Soc. Jpn.
   • 72,
   • 1225-1231
   • (1999).
7. • "Selective preparation of enantiomers by laser pulses: quantum model simulation for H₂POSH",
   • Y. Fujimura, L. González, K. Hoki, J. Manz and Y. Ohtsuki,
   • Chem. Phys. Lett.
   • 306,
   • 1-8
   • (1999).
8. • "Adiabatic and diabatic responses of H₂⁺ to an intense femtosecond laser pulse: Dynamics of the electronic and nuclear wave packet",
   • I. Kawata, H. Kono and Y. Fujimura,
   • J. Chem. Phys.
   • 110,
   • 11152-11165
   • (1999).
9. • "Electronic Dynamics of Atoms and Molecules in Intense Ultrashort Laser Pulses (in Japanese)",
   • Y. Fujimura, H. Kono,
   • The Review of Laser Engineering
   • 27,
   • 324-330
   • (1999).
10. • "Monotonically convergent algorithm for quantum optimal control with dissipation",
    • Y. Ohtsuki, W. Zhu and H. Rabitz,
    • J. Chem. Phys.
    • 110,
    • 9825-9832
    • (1999).
11. • "Photon polarization effects on quantum control of isomerization of hydrogen cyanide",
    • T. Watanabe, H. Umeda, Y. Fujimura and A. D. Bandrauk,
    • J. Mol. Struct. (THEOCHEM)
    • 461,
    • 317-324
    • (1999).
12. • "Two-frequency IR laser orientation of polar molecules. Numerical simulations for HCN",
    • C. M. Dion, A. D. Bandrauk, O. Atabek, A. Keller, H. Umeda and Y. Fujimura,
    • Chem. Phys. Lett.
    • 302,
    • 215-223
    • (1999).