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Kayanuma Megumi

Center for Computational Sciences
Official title
Assistant Professor
Career history
2009-04 -- 2010-03産業技術総合研究所 産総研特別研究員
2010-04 -- 2011-12ストラスブール大学 ポスドク
2012-02 -- 2012-05お茶の水女子大学 特任リサーチフェロー
2012-06 -- 2016-03筑波大学 助教
  • Molecular Mechanism of the Reaction Specificity in Threonine Synthase: Importance of the Substrate Conformations
    Ujiie Yuzuru; Tanaka Wataru; Hanaoka Kyohei; Harada Ryuhe...
    The journal of physical chemistry. B/121(22)/pp.5536-5543, 2017-05
  • Molecular dynamics study on the key catalytic intermediates of threonine synthase
    Shoji Mitsuo; Ujiie Yuzuru; Harada Ryuhei; Kayanuma Megum...
    PROTEIN SCIENCE/24(1:SI)/pp.18-18, 2015-10
  • A QM/MM study of the initial steps of catalytic mechanism of nitrile hydratase
    Kayanuma Megumi; Hanaoka Kyohei; Shoji Mitsuo; Shigeta Ya...
    CHEMICAL PHYSICS LETTERS/623/pp.8-13, 2015-03
  • Electronic Excitations in Fischer-Type Cr and W Aminocarbene Complexes: A Combined ab Initio and Experimental Study
    Hanna Kvapilová; Irena Hoskovcová; Kayanuma Megumi; Chant...
    The Journal of Physical Chemistry A/117/pp.11456-11463, 2013-11
  • Heteroleptic diimine copper(I) complexes with large extinction coefficients: synthesis, quantum chemistry calculations and physico-chemical properties
    Martina Sandroni; Kayanuma Megumi; Mateusz Rebarz; Huriye...
    Dalton Transactions/42/pp.14628-14638, 2013-10
  • First application of the HETPHEN concept to new heteroleptic bis(diimine) copper(I) complexes as sensitizers in dye sensitized solar cells
    Martina Sandroni; Kayanuma Megumi; Aurélien Planchat; Nad...
    Dalton Transactions/42/pp.10818-10827, 2013-08
  • Ab initio surface hopping simulation on dissociative recombination of H3O+
    M. Kayanuma; T. Taketsugu; K. Ishii
    Chemical Physics Letters/418(4-6)/p.511-518, 2006-02
  • An ab initio molecular dynamics study on the dissociative recombination reaction of HD2O+ + e-
    Megumi Kayanuma; Tetsuya Taketsugu; Keisaku Ishii
    Theoretical Chemistry Accounts/120(1-3)/p.191-198, 2008-05
  • Ab initio molecular orbital study of dinitrobenzene radical anions
    M. Kayanuma; H. Hosoi; A. Furuya; Y. Masuda; K. Takano
    Chemical Physics Letters/494(4-6)/p.139-143, 2010-07
  • Adsorption and diffusion of atomic hydrogen on a curved surface of microporous carbon: A theoretical study
    M. Kayanuma; U. Nagashima; H. Nishihara; T. Kyotani; H. O...
    Chemical Physics Letters/495(4-6)/p.251-255, 2010-08
  • Theoretical Study of Hydrogen Chemisorption to Nitrogen-Substituted Graphene-Like Compounds
    M. Kayanuma; T. Ikeshoji; H. Ogawa
    Bulletin of the Chemical Society of Japan/84(1)/p.52-57, 2011-01
  • New Heteroleptic Bis-Phenanthroline Copper(I) Complexes with Dipyridophenazine or Imidazole Fused Phenanthroline Ligands: Spectral, Electrochemical, and Quantum Chemical Studies
    Y. Pellegrin; M. Sandroni; E. Blart; A. Planchat; M. Evai...
    Inorganic Chemistry/50(22)/p.11309-11322, 2011-10
  • Photophysics of isomerizable Re(I) complexes: a theoretical analysis
    M. Kayanuma C. Daniel H. Kö ppel E. Gindensperger; +...
    Coordination Chemistry Reviews/255(21-22)/pp.2693-2703, 2011-11
  • Path integral molecular dynamics for hydrogen adsorption site of zeolite-templated carbon with semi-empirical PM3 potential
    K. Suzuki; M. Kayanuma; M. Tachikawa; H. Ogawa; H. Nishih...
    Computational and Theoretical Chemistry/975(1-3)/pp.128-133, 2011-11
  • Structures and spectral properties of heteroleptic copper(I) complexes: A theoretical study based on density functional theory
    Megumi Kayanuma; Narayan Bera; Martina Sandroni; Yann Pel...
    Comptes Rendus Chimie/15(2-3)/pp.255-266, 2012-01
  • Inorganic photoisomerization: the case study of rhenium(I) complexes
    Kayanuma Megumi; Gindensperger Etienne; Daniel Chantal
    DALTON TRANSACTIONS/41(42)/pp.13191-13203, 2012-01
Conference, etc.
  • A theoretical study of glycine formation reactions in interstellar medium
    Kaori Kidachi; Komatsu Yu; Sato Akimasa; Kayanuma Megumi;...
    the 57th Sanibel Symposium/2017-02-19--2017-02-24
2016-10 -- 2017-02Computer Science Seminar AUniversity of Tsukuba.
2016-10 -- 2017-02Research in Computer ScienceUniversity of Tsukuba.
2016-10 -- 2017-02Computer Science Seminar BUniversity of Tsukuba.
2016-10 -- 2017-02Research in Computer Science IIUniversity of Tsukuba.
2016-10 -- 2017-02Research in Computer Science IUniversity of Tsukuba.
2016-10 -- 2017-02Seminar in Computer ScienceUniversity of Tsukuba.
2016-04 -- 2016-08Seminar in Computer ScienceUniversity of Tsukuba.
2016-04 -- 2016-08Research in Computer Science IUniversity of Tsukuba.
2016-04 -- 2016-08Computer Science Seminar AUniversity of Tsukuba.
2016-04 -- 2016-08Research in Computer ScienceUniversity of Tsukuba.

(Last updated: 2017-06-05)