Search Results1-20 of  50

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  • TAKETSUGU Tetsuya ID: 9000364773176

    Faculty of Science, Hokkaido University, Kita 10 Nishi 8, Kita-ku, Sapporo 060-0810, JAPAN (2016 from CiNii)

    Articles in CiNii:18

    • Speed-up of Ab Initio Hybrid Monte Carlo and Ab Initio Path Integral Hybrid Monte Carlo Simulations by Using an Auxiliary Potential Energy Surface (2009)
    • Theoretical Study of Electronic and Geometric Structures of a Series of Lanthanoid Compounds LnCl_3(Ln=La-Lu) (1996)
    • Metal-phthalocyanione complexes (2008)
  • TAKETSUGU Tetsuya ID: 9000399762658

    Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, 1-30 Goryo Ohara, Nishikyo, Kyoto, Kyoto 615-8520 Japan|Graduate School of Chemical Sciences and Engineering, Hokkaido University, N10W8, Sapporo 060-0810, Japan|Department of Chemistry, Faculty of Science, Hokkaido University, N10W8, Sapporo 060-0810, Japan (2019 from CiNii)

    Articles in CiNii:1

    • Structural and Electronic Properties, Isomerization,and No Dissociation Reactions on Au, Ag, Cu Clusters (2019)
  • TAKETSUGU Tetsuya ID: 9000399786779

    Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, 1-30 Goryo Ohara, Nishikyo, Kyoto, Kyoto 615-8520 Japan|Graduate School of Chemical Sciences and Engineering, Hokkaido University, N10W8, Sapporo 060-0810, Japan|Department of Chemistry, Faculty of Science, Hokkaido University, N10W8, Sapporo 060-0810, Japan (2019 from CiNii)

    Articles in CiNii:1

    • Structural and Electronic Properties, Isomerization, and NO Dissociation Reactions on Au, Ag, Cu Clusters (2019)
  • Taketsugu Tetsuya ID: 9000016913446

    Articles in CiNii:1

    • Ab initio molecular dynamics simulation of photoisomerization in azobenzene in the nπ* state (2009)
  • Taketsugu Tetsuya ID: 9000016918190

    Articles in CiNii:1

    • Theoretical study of Ar-MCO (M = Pd, Pt) (2010)
  • Taketsugu Tetsuya ID: 9000018817667

    Articles in CiNii:1

    • Competing effects of rare gas atoms in matrix isolation spectroscopy: A case study of vibrational shift of BeO in Xe and Ar matrices (2012)
  • Taketsugu Tetsuya ID: 9000018846154

    Articles in CiNii:1

    • Catalytic Activity of Au and Au2 on the h-BN Surface: Adsorption and Activation of O2 (2012)
  • Taketsugu Tetsuya ID: 9000019073851

    Articles in CiNii:1

    • A significant role of the totally symmetric valley-ridge inflection point in the bifurcating reaction pathway (2011)
  • Taketsugu Tetsuya ID: 9000019222415

    Articles in CiNii:1

    • Crystal Structure of Ruthenium Phthalocyanine with Diaxial Monoatomic Ligand: Bis(Triphenylphosphine) Iminium Dichloro(Phthalocyaninato(2-)) Ruthenium(III) (2013)
  • Taketsugu Tetsuya ID: 9000019247794

    Articles in CiNii:1

    • Trifurcation of the reaction pathway (2012)
  • Taketsugu Tetsuya ID: 9000237782688

    Articles in CiNii:1

    • A multireference perturbation study of the NN stretching frequency of trans-azobenzene in nπ* excitation and an implication for the photoisomerization mechanism (2013)
  • Taketsugu Tetsuya ID: 9000237783287

    Articles in CiNii:1

    • CO oxidation on h-BN supported Au atom (2013)
  • Taketsugu Tetsuya ID: 9000239881462

    Articles in CiNii:1

    • Photoreaction channels of the guanine-cytosine base pair explored by long-range corrected TDDFT calculations (2012)
  • Taketsugu Tetsuya ID: 9000242118899

    Articles in CiNii:1

    • Theoretical predictions for hexagonal BN based nanomaterials as electrocatalysts for the oxygen reduction reaction (2013)
  • Taketsugu Tetsuya ID: 9000242544826

    Articles in CiNii:1

    • Solvent effects on the ultrafast nonradiative deactivation mechanisms of thymine in aqueous solution : Excited-state QM/MM molecular dynamics simulations (2013)
  • Taketsugu Tetsuya ID: 9000255315987

    Articles in CiNii:1

    • Efficient sampling for ab initio Monte Carlo simulation of molecular clusters using an interpolated potential energy surface (2009)
  • Taketsugu Tetsuya ID: 9000257185720

    Articles in CiNii:1

    • Photophysics of cytosine tautomers : new insights into the nonradiative decay mechanisms from MS-CASPT2 potential energy calculations and excited-state molecular dynamics simulations (2013)
  • Taketsugu Tetsuya ID: 9000261022355

    Department of Chemistry, Faculty of Science, Hokkaido University (2014 from CiNii)

    Articles in CiNii:1

    • Anharmonic Downward Distortion Following for Automated Exploration of Quantum Chemical Potential Energy Surfaces (2014)
  • Taketsugu Tetsuya ID: 9000283393630

    Department of Chemistry, Faculty of Science, Hokkaido University (2014 from CiNii)

    Articles in CiNii:1

    • Direct Pathway for Water–Gas Shift Reaction in Gas Phase (2014)
  • Taketsugu Tetsuya ID: 9000287285677

    Articles in CiNii:1

    • HXeI and HXeH in Ar, Kr, and Xe matrices: Experiment and simulation (2015)
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