List of publications

2007

    • "Control of ¦Ð-Electron Rotation in Chiral Aromatic Molecules by Nonhelical Laser Pulses",
    • M. Kanno, H. Kono and Y. Fujimura,
    • Angew. Chem. Int. Ed.
    • 45,
    • 7995-7998
    • (2007).
    • "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).
    • "Ab initio molecular orbitals study of the conformational preference in alpha-cyano-alpha-fluorophenylacetic acid ester",
    • R. Sahnoun, Y. Fujimura, K. Kabuto, Y. Takeuchi and R. Noyori,
    • J. Org. Chem.
    • 72,
    • 7923-7929
    • (2007).
    • "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).
    • "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).
    • "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).
    • "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-Verlag,
    • (2007)
    • 93-112 .
    • "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).
    • "Conical intersections involving the dissociative (1)π-σ* state in 9H-adenine: a quantum chemical ab initio study",
    • W. C. Chung, Z. Lan, N. Shimakura, W. Domcke and Y. Fujimura,
    • Phys. Chem. Chem. Phys.
    • 9,
    • 2075-2084
    • (2007).
    • "Quantum Control of Chemical Reaction Dynamics and Molecular Functions",
    • M. Yamaki, A. Mayumi, 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 .
    • "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).
    • "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 .

2006

    • "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).
    • "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).
    • "Geometric phase effects in the coherent control of the branching ratio of photodissociation products of phenol",
    • A. Mayumi, Y. Ohtsuki, Y. Fujimura, Z. Lan and W. Domcke,
    • J. Chem. Phys.
    • 124,
    • 224316
    • (2006).
    • "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).
    • "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).
    • "Density functional theoretical study on enantiomerization of 2,2'-biphenol",
    • R. Sahnoun, S. Koseki and Y. Fujimura,
    • J. Phys. Chem. A
    • 430,
    • 2440-2447
    • (2006).
    • "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).

2005

    • "Optimal control of ultrafast cis-trans photoisomerization of retinal in rhodopsin via a conical intersection",
    • A. Mayumi, Y. Ohtsuki, . Fujimura and W. Domcke,
    • J. Chem. Phys.
    • 123,
    • 144508
    • (2005).
    • and also the October 15, 2005 issue of Virtual Journal of Biological Physics Research, and the November 2005 issue of Virtual Journal of Ultrafast Science.
    • "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).
    • "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).
    • "Theoretical investigation of 1,1'-bi-2-naphthol isomerization",
    • R. Sahnoun, S. Koseki and . Fujimura,
    • J. Mol. Struct.
    • 735-36,
    • 315-324
    • (2005).
    • "Quantum control of a unidirectional rotation of a chiral molecular motor.",
    • M. Yamaki, K. Hoki, Y. Ohtsuki, H. Kono and Y. Fujimura,
    • Phys. Chem. Chem. Phys.
    • 7,
    • 1900-1904
    • (2005).
    • "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, . Fujimura and F. H. M. Faisal,
    • Phys. Rev. A
    • 72,
    • 033418
    • (2005).
    • "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).

2004

    • "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 .
    • "Numerical Synthesis of Optimal Laser Pulses for Manipulating Dissociation Wave Pckets of I2- in Water",
    • Y. Ohtsuki, N. Noshikazu, 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 .
    • "Optimal Control of Femtosecond Photoisomerization of Retinal in Rhodopsin: Effects of Conical Intersections",
    • A. Mayumi, 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 .
    • "Optimal laser control of ultrafast photodissociation of I2- in water: Mixed quantum/classical molecular dynamics simulation",
    • Y. Nishiyama, T. Kato, Y. Ohtsuki and . Fujimura,
    • J. Chem. Phys.
    • 121,
    • 2685-2693
    • (2004).
    • "Sequential pump-dump control of photoisomerization competing with photodissociation of optical isomers",
    • K. Hoki, L. González, MF. Shibl and Y. Fujimura,
    • J. Phys. Chem. A
    • 108,
    • 6455-6463
    • (2004).
    • "Optimal control of quantum non-Markovian dissipation: Reduced Liouville-space theory",
    • RX. Xu, YJ. Yan, Y. Ohtsuki, Y. Fujimura and H. Rabitz,
    • J. Chem. Phys.
    • 120,
    • 6600-6608
    • (2004).
    • "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).
    • "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).
    • "Generalized monotonically convergent algorithms for solving quantum optimal control problems",
    • Y. Ohtsuki, G. Turinici and H. Rabitz,
    • J. Chem. Phys.
    • 120,
    • 5509-5517
    • (2004).
    • "Molecular alignment in a liquid induced by a nonresonant laser field: Molecular dynamics simulation",
    • J. Ohkubo, T. Kato, H. Kono and . Fujimura,
    • J. Chem. Phys.
    • 120,
    • 9123-9132
    • (2004).
    • "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).
    • "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).
    • "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).

2003

    • "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).
    • "Chiral molecular motors driven by a nonhelical laser pulse",
    • K. Hoki, M. Yamaki and Y. Fujimura,
    • Angew. Chem. Int. Ed.
    • 42,
    • 2975-2978
    • (2003).
    • "New quantum control pathway for a coupled-potential system",
    • Y. Ohtsuki, K. Ohara, A. Mayumi, K. Nakagami and Y. Fujimura,
    • Chem. Phys. Lett.
    • 369,
    • 525-533
    • (2003).
    • "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).
    • "Dual transformation for non-Born-Oppenheimer time-dependent density functional theory",
    • Y. Ohta, J. Maki, H. Nagao, H. Kono and . Fuijimura,
    • Int. J. Quantum Chem.
    • 91,
    • 105-112
    • (2003).
    • "Adiabatic theory of infrared laser-induced predesorption of CO from a NaCl(100) surface",
    • K. Nakagami, Y. Ohtsuki, Y. Fujimura and SH. Lin,
    • Phys. Chem. Chem. Phys.
    • 5,
    • 528-537
    • (2003).
    • "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).
    • "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).
    • "Non-Markovian effects on quantum optimal control of dissipative wave packet dynamics",
    • Y. Ohtsuki,
    • J. Chem. Phys.
    • 119,
    • 661-671
    • (2003).
    • "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 . Fujimura,
    • J. Am. Chem. Soc.
    • 125,
    • 8019-8031
    • (2003).

2002

    • "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).
    • "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).
    • "Control of molecular handedness using pump-dump laser pulses",
    • K. Hoki, L. González and Y. Fujimura,
    • J. Chem. Phys.
    • 116,
    • 2433-2438
    • (2002).
    • "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).
    • "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).
    • "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).
    • "Intense laser-field ionization of H2- enhanced by two-electron dynamics",
    • K. Harumiya, H. Kono, . Fujimura, I. Kawata and A. D. Bandrauk,
    • Phys. Rev. A
    • 66,
    • 043403
    • (2002).
    • "Intense-laser-induced electron transfer and structure deformation of molecules",
    • H. Kono, . Hirohiko and S. Koseki,
    • in "Laser Control and Manipulation of Molecules",
    • edited by A. D. Bandrauk, Y. Fujimura and R. J. Gordon,
    • ACS,
    • (2002)
    • 267-284 .
    • "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 .

2001

    • "Quantum control of alignment and orientation of molecules by optimized laser pulses",
    • K. Hoki, Y. Fujimura,
    • Chem. Phys.
    • 267,
    • 187-193
    • (2001).
    • "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).
    • "Locally designed pulse shaping for selective preparation of enantiomers from their racemate",
    • K. Hoki, . Otsuki and Y. Fujimura,
    • J. Chem. Phys.
    • 114,
    • 1575-1581
    • (2001).
    • "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).
    • "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).
    • "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).
    • "Quantum control of molecular reaction dynamics by laser pulses: Development of theory and its application",
    • Y. Ohtsuki, . Sugawar, H. Kono and Y. Fujimura,
    • Bull. Chem. Soc. Jpn.
    • 74,
    • 1167-1191
    • (2001).
    • "Mechanism of enhanced ionization of linear H3-(+) in intense laser fields",
    • I. Kawata, H. Kono and A. D. Bandrauk,
    • Phys. Rev. A
    • 6404,
    • 043411
    • (2001).
    • "Applicability of a classical local control method to a quantum system",
    • H. Umeda, Y. Fujimura,
    • Chem. Phys.
    • 274,
    • 231-241
    • (2001).

2000

    • "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).
    • "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).
    • "Selective preparation of enantiomers by laser pulses: From optimal control to specific pump and dump transitions",
    • L. González, K. Hoki, D. Kröner, AS. Leal, J. Manz and Y. Ohtsuki,
    • J. Chem. Phys.
    • 113,
    • 11134-11142
    • (2000).
    • "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).

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