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栢沼愛

ALUMNI 2025年5月現在、筑波大学が主たる所属機関ではありません

Kayanuma, Megumi

産業技術総合研究所 , マテリアルDX研究センター , 主任研究員
National Institute of Advanced Indstrial Science and Technology , Materials DX Research Center

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41. 3P077 ウリジンシチジンキナーゼの基質結合相互作用についての理論的研究(01D. 蛋白質:機能,ポスター,第52回日本生物物理学会年会(2014年度)) Tanaka Wataru; Ujiie Yuzuru; Tomoike Fumiaki; Shoji Mitsuo (+3 著者) Shigeta Yasuteru
Seibutsu Butsuri 54: S261 (2014) Semantic Scholar
42. 3P076 トレオニン合成酵素の反応制御機構解明のための分子動力学計算 : 反応中間体間自由エネルギー評価(01D. 蛋白質:機能,ポスター,第52回日本生物物理学会年会(2014年度)) Ujiie Yuzuru; Tanaka Wataru; Shoji Mitsuo; Kayanuma Megumi (+3 著者) Hayashi Hideyuki
Seibutsu Butsuri 54: S261 (2014) Semantic Scholar
43. Electronic Excitations in Fischer-Type Cr and W Aminocarbene Complexes: A Combined ab Initio and Experimental Study Hanna Kvapilová; Irena Hoskovcová; Megumi Kayanuma; Chantal DanielStanislav Záliš
JOURNAL OF PHYSICAL CHEMISTRY A 117: 11456 (2013) Semantic Scholar
44. First application of the HETPHEN concept to new heteroleptic bis(diimine) copper(I) complexes as sensitizers in dye sensitized solar cells Martina Sandroni; Megumi Kayanuma; Aurelien Planchat; Nadine Szuwarski (+4 著者) Fabrice Odobel
DALTON TRANSACTIONS 42: 10818 (2013) Semantic Scholar
45. 1P074 ニトリルヒドラターゼの触媒機構に関する理論的研究(01D. 蛋白質:機能,ポスター,日本生物物理学会年会第51回(2013年度)) Kayanuma Megumi; Hanaoka Kyohei; Shoji Mitsuo
Seibutsu Butsuri 53: S118 (2013) Semantic Scholar
46. 1P076 トレオニン合成酵素における反応制御機構の理論的解明(01D. 蛋白質:機能,ポスター,日本生物物理学会年会第51回(2013年度)) Shoji Mitsuo; Hanaoka Kyohei; Ujiie Yuzuru; Tanaka Wataru (+4 著者) Hayashi Hideyuki
Seibutsu Butsuri 53: S118 (2013) Semantic Scholar
47. Heteroleptic diimine copper(I) complexes with large extinction coefficients: synthesis, quantum chemistry calculations and physico-chemical properties Martina Sandroni; Megumi Kayanuma; Mateusz Rebarz; Huriye Akdas-Kilig (+4 著者) Fabrice Odobel
DALTON TRANSACTIONS 42: 14628 (2013) Semantic Scholar
48. Structures and spectral properties of heteroleptic copper (I) complexes: A theoretical study based on density functional theory Megumi Kayanuma; Narayan Bera; Martina Sandroni; Yann Pellegrin (+2 著者) Chantal Daniel
COMPTES RENDUS CHIMIE 15: 255 (2012) Semantic Scholar
49. 3PT222 QM/MM法による同化型亜硝酸還元酵素の反応機構についての理論的研究(日本生物物理学会第50回年会(2012年度)) Shoji Mitsuo; Hanaoka Kyohei; Kondo Daiki; Umeda Hiroaki (+4 著者) Katayanagi Katsuo
Seibutsu Butsuri 52: S178 (2012) Semantic Scholar
50. Inorganic photoisomerization: the case study of rhenium(I) complexes Megumi Kayanuma; Etienne Gindensperger; Chantal Daniel
DALTON TRANSACTIONS 41: 13191 (2012) Semantic Scholar
51. Path integral molecular dynamics for hydrogen adsorption site of zeolite-templated carbon with semi-empirical PM3 potential Kimichi Suzuki; Megumi Kayanuma; Masanori Tachikawa; Hiroshi Ogawa (+2 著者) Umpei Nagashima
COMPUTATIONAL AND THEORETICAL CHEMISTRY 975: 128 (2011) Semantic Scholar
52. Photophysics of isomerizable Re(I) complexes: A theoretical analysis Megumi Kayanuma; Chantal Daniel; Horst Koeppel; Etienne Gindensperger
COORDINATION CHEMISTRY REVIEWS 255: 2693 (2011) Semantic Scholar
53. New Heteroleptic Bis-Phenanthroline Copper(I) Complexes with Dipyridophenazine or Imidazole Fused Phenanthroline Ligands: Spectral, Electrochemical, and Quantum Chemical Studies Yann Pellegrin; Martina Sandroni; Errol Blart; Aurelien Planchat (+7 著者) Fabrice Odobel
INORGANIC CHEMISTRY 50: 11309 (2011) Semantic Scholar
54. Nuclear quantum effect on hydrogen adsorption site of zeolite-templated carbon model using path integral molecular dynamics Kimichi Suzuki; Megumi Kayanuma; Masanori Tachikawa; Hiroshi Ogawa (+2 著者) Umpei Nagashima
Journal of Alloys and Compounds 509S: S868 (2011) Semantic Scholar
55. Theoretical Study of Hydrogen Chemisorption to Nitrogen-Substituted Graphene-Like Compounds Megumi Kayanuma; Tamio Ikeshoji; Hiroshi Ogawa
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 84: 52 (2011) Semantic Scholar
56. Adsorption and diffusion of atomic hydrogen on a curved surface of microporous carbon: A theoretical study Megumi Kayanuma; Umpei Nagashima; Hirotomo Nishihara; Takashi KyotaniHiroshi Ogawa
CHEMICAL PHYSICS LETTERS 495: 251 (2010) Semantic Scholar
57. Ab initio molecular orbital study of dinitrobenzene radical anions Megumi Kayanuma; Haruko Hosoi; Akiko Furuya; Yuichi MasudaKeiko Takano
CHEMICAL PHYSICS LETTERS 494: 139 (2010) Semantic Scholar
58. An ab initio molecular dynamics study on the dissociative recombination reaction of HD(2)O(+)+e(-) Megumi Kayanuma; Tetsuya Taketsugu; Keisaku Ishii
THEORETICAL CHEMISTRY ACCOUNTS 120: 191 (2008) Semantic Scholar
59. Ab initio surface hopping simulation on dissociative recombination of H3O+ M Kayanuma; T Taketsugu; K Ishii
CHEMICAL PHYSICS LETTERS 418: 511 (2006) Semantic Scholar

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