永瀬茂 (Shigeru Nagase) - マイポータル

基本情報

所属: 京都大学

J-GLOBAL ID: 200901017483811266
researchmap会員ID: 1000017853

研究分野

ナノテク・材料 / 基礎物理化学 /

経歴

論文

536

Theory and Calculations of Molecules Containing Heavier Main Group Elements and Fullerenes Encaging Transition Metals: Interplay with Experiment

Shigeru Nagase

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 87(2) 167-195 2014年2月査読有り
Towards Relative Populations of Non-Isomeric Metallofullerenes: La@C-76(T-d) vs. La-2@C-76(C-S, 17490)

Zdenek Slanina, Filip Uhlik, Shyi-Long Lee, Bo-Cheng Wang, Ludwik Adamowicz, Mitsuaki Suzuki, Masayuki Haranaka, Lai Feng, Xing Lu, Shigeru Nagase …

FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES 22(1-3) 299-306 2014年1月査読有り
Calculated Temperature Development of the Relative Stabilities of Yb@C-82 Isomers

Zdenek Slanina, Filip Uhlik, Shyi-Long Lee, Mitsuaki Suzuki, Xing Lu, Naomi Mizorogi, Shigeru Nagase, Takeshi Akasaka

FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES 22(1-3) 147-154 2014年1月査読有り
Computations on Metallofullerenes Derivatized during Extraction: La@ C-80- C6H3Cl2 and La@C-82-C6H3Cl2

Zdenek Slanina, Filip Uhlik, Shyi-Long Lee, Ludwik Adamowicz, Hiroki Kurihara, Hidefumi Nikawa, Xing Lu, Michio Yamada, Shigeru Nagase, Takeshi Akasaka

FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES 22(1-3) 173-181 2014年1月査読有り
Chemical Properties of Divalent Metallofullerenes Yb@D-3h(1)-C-74 and Yb@C-2(13)-C-84

Juling Ruan, Yunpeng Xie, Wenting Cai, Zdenek Slanina, Naomi Mizorogi, Shigeru Nagase, Takeshi Akasaka, Xing Lu

FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES 22(1-3) 138-146 2014年1月査読有り
Sm@C-74: Computed Relative Isomeric Populations

Zdenek Slanina, Filip Uhlik, Shyi-Long Lee, Ludwik Adamowicz, Lai Feng, Midori O. Ishitsuka, Takahiro Tsuchiya, Xiang Zhao, Shigeru Nagase

FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES 22(1-3) 235-242 2014年1月査読有り
Diversity of the Structures in a Distannene Complex and its Reduction to Generate a Six-Membered Ti2Sn4 Ring Complex

Takuya Kuwabara, Jing Dong Guo, Shigeru Nagase, Masaichi Saito

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 53(2) 434-438 2014年1月査読有り
Regioselective Derivatization of C-84 by Diels-Alder Reactions: Applications to Photovoltaic Solar Cells and Fullerene Polymerization

Jing-Shuang Dang, Wei-Wei Wang, Xiang Zhao, Shigeru Nagase

ORGANIC LETTERS 16(1) 170-173 2014年1月査読有り
Cycloaddition of benzyne to armchair single-walled carbon nanotubes: [2 + 2] or [4 + 2]?

Tao Yang, Xiang Zhao, Shigeru Nagase

Organic Letters 15(23) 5960-5963 2013年12月6日査読有り
La-2@C-s(17490)-C-76: A New Non-IPR Dimetallic Metallofullerene Featuring Unexpectedly Weak Metal-Pentalene Interactions

Mitsuaki Suzuki, Naomi Mizorogi, Tao Yang, Filip Uhlik, Zdenek Slanina, Xiang Zhao, Michio Yamada, Yutaka Maeda, Tadashi Hasegawa, Shigeru Nagase …

CHEMISTRY-A EUROPEAN JOURNAL 19(50) 17125-17130 2013年12月査読有り
Dispersion Force Stabilized Two-Coordinate Transition Metal-Amido Complexes of the -N(SiMe3)Dipp (Dipp = C6H3-2,6-Pr-2(i)) Ligand: Structural, Spectroscopic, Magnetic, and Computational Studies

Chun-Yi Lin, Jing-Dong Guo, James C. Fettinger, Shigeru Nagase, Fernande Grandjean, Gary J. Long, Nicholas F. Chilton, Philip P. Power

INORGANIC CHEMISTRY 52(23) 13584-13593 2013年12月査読有り
Predicting stabilities of endohedral metallofullerenes Yb@C84

F. Uhlík, Z. Slanina, S. L. Lee, T. Akasaka, S. Nagase

Physica Status Solidi (B) Basic Research 250(12) 2709-2712 2013年12月査読有り
Quantum Chemical Insight into Metallofullerenes M2C98: M2C2@C-96 or M-2@C-98, Which Will Survive?

Hong Zheng, Xiang Zhao, Wei-Wei Wang, Jing-Shuang Dang, Shigeru Nagase

JOURNAL OF PHYSICAL CHEMISTRY C 117(47) 25195-25204 2013年11月査読有り
Optimization of RI-MP2 Auxiliary Basis Functions for 6-31G** and 6-311G** Basis Sets for First-, Second-, and Third-Row Elements

Masato Tanaka, Michio Katouda, Shigeru Nagase

JOURNAL OF COMPUTATIONAL CHEMISTRY 34(29) 2568-2575 2013年11月査読有り
1,3-Dipolar cycloadditions of Stone-Wales defective single-walled carbon nanotubes: A theoretical study

Tao Yang, Xiang Zhao, Shigeru Nagase

JOURNAL OF COMPUTATIONAL CHEMISTRY 34(26) 2223-2232 2013年10月査読有り
Rates and energetics of intramolecular electron transfer processes in conjugated metallofullerenes

Christina Schubert, Marc Rudolf, Dirk M. Guldi, Yuta Takano, Naomi Mizorogi, M. Ángeles Herranz, Nazario Martín, Shigeru Nagase, Takeshi Akasaka

Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 371(1998) 2013年9月13日査読有り
Syntheses and Structures of an "Alumole" and Its Dianion

Tomohiro Agou, Tatsuya Wasano, Peng Jin, Shigeru Nagase, Norihiro Tokitoh

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 52(38) 10031-10034 2013年9月査読有り
Carbene Additions to Fullerenes

Michio Yamada, Takeshi Akasaka, Shigeru Nagase

CHEMICAL REVIEWS 113(9) 7209-7264 2013年9月査読有り
Molecular Structure and Chemical Property of a Divalent Metallofullerene Yb@C-2(13)-C-84

Wenjun Zhang, Mitsuaki Suzuki, Yunpeng Xie, Lipiao Bao, Wenting Cai, Zdenek Slanina, Shigeru Nagase, Ming Xu, Takeshi Akasaka, Xing Lu

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 135(34) 12730-12735 2013年8月査読有り
Enhanced many-body effects in one-dimensional linear atomic chains

Ruixiang Fei, Guangfu Luo, Yangyang Wang, Zhengxiang Gao, Shigeru Nagase, Dapeng Yu, Jing Lu

Physica Status Solidi (B) Basic Research 250(8) 1636-1643 2013年8月査読有り

もっとみる

MISC

Relative Production Yields in Homologous Metallofullerene Series: Computations for X@C-74 and Z@C-82 Endohedrals

Filip Uhlik, Zdenek Slanina, Takeshi Akasaka, Shigeru Nagase

INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2009 (ICCMSE 2009) 1504 1162-1165 2012年査読有り
Calculated Production Yields in Metallofullerene Series

Zdenek Slanina, Filip Uhlik, Takeshi Akasaka, Shigeru Nagase

NANOTECHNOLOGY 2011: ELECTRONICS, DEVICES, FABRICATION, MEMS, FLUIDICS AND COMPUTATIONAL, NSTI-NANOTECH 2011, VOL 2 2 639-642 2011年査読有り
Computed metallofullerene yields in the X@C₇₄ and Z@C ₈₂ series

Z. Slanina, F. Uhlík, T. Akasaka, S. Nagase

Nanotechnology 2010: Electronics, Devices, Fabrication, MEMS, Fluidics and Computational - Technical Proceedings of the 2010 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech 2010 2 629-632 2010年査読有り
Computations on Li-x@C-60

Zdenek Slanina, Filip Uhlik, Shigeru Nagase

NSTI NANOTECH 2008, VOL 3, TECHNICAL PROCEEDINGS 3 689-+ 2008年査読有り
Computational screening of metallofullerenes for nanoscience: X@C ₇₄ series (X = Ca, Sr, Ba)

Z. Slanina, F. Uhlík, S. Nagase

2007 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2007, Technical Proceedings 1 489-492 2007年査読有り
Computing fullerene encapsulation of non-metallic molecules: N ₂@C₆₀

Z. Slanina, S. Nagase

2005 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2005 Technical Proceedings 222-225 2005年査読有り
Computing metallofullerenes as agents of nanoscience: Gibbs energy treatment of Ca@C-72 Ca@C-82 and La@C-82

Z Slanina, K Kobayashi, S Nagase

NSTI NANOTECH 2004, VOL 3, TECHNICAL PROCEEDINGS 3 202-205 2004年査読有り
GIBBS energy treatment of Ca@C₇₄, Ca@C₈₂, and La@C₈₂

Z. Slanina, K. Kobayashi, S. Nagase

Proceedings - Electrochemical Society PV 2004-12 71-83 2004年査読有り
Computations on new observations for C₆₀F₃₆ and C₆₀H₃₆

Z. Slanina, F. Uhlík, O.V. Boltalina, K. Kobayashi, S. Nagase

Proceedings - Electrochemical Society PV 2004-12 94-102 2004年査読有り
Excited electronic states and production optimizations for promising nano-agents

Z Slanina, F Uhlik, K Kobayashi, S Nagase

NANOTECH 2003, VOL 3 3 504-507 2003年査読有り

書籍等出版物

Ab Initio分子軌道法

季刊化学総説46「高精度分子設計と新素材開発」、日本化学会編、学会出版センター 2000年
Endohedral Metallofullerenes : Theory, Electrochemistry, and Chemical Reactions

Fullerenes : Chemistry, Physics, and Technology(Eds., K. M. Kadish and R. S. Ruoff), John Wiley 2000年
C┣D270┫D2および金属内包フラーレンの反応

季刊化学総説43「炭素第三の同素体フラーレンの化学」、日本化学会編、学会出版センター 1999年
Isolation and Characterization of a Pr@C┣D282┫D2

Recent Advances in the Chemistry and Physics of Fullerenes and Related Materials(Eds., K. M. Kadish and R. S. Ruoff), The Electrochemical Society, Inc. 1999年
Are the IPR-satisfying Structures Most Stable for Sc┣D23┫D2@C┣D282┫D2 and Sc┣D24┫D2@C┣D282┫D2?

Recent Advances in the Chemistry and Physics of Fullerenes and Related Materials(Eds., K. M. Kadish and R. S. Ruoff), The Electrochemical Society, Inc. 1999年
Structures and Reactions of Compounds Containing Heavier Main Group Elements

The Transition State-A Theoretical Approach(Ed. T. Fueno), Gordon and Breach Science 1999年
高周期典型元素化合物の特徴-理論的考察

化学総説「有機超原子価化合物」、日本化学会編、学会出版センター 1998年
Polyhedral Silicon Compounds

The Chemistry of Organosilicon Compounds(Eds., Z. Rappoport and Y. Apeloig), John Wiley 1998年
Endohedrally Metal-Doped Heterofullerenes

Recent Advances in the Chemistry and Physics of Fullerenes and Related Materials(Eds. , K. M. Kadish and R. S. Ruoff), The Electrochemical Society, Inc. 1998年
Unconventional Structures of Endohedral Metallofullerenes

Recent Advances in the Chemistry and Physics of Fullerenes and Related Materials(Eds. , K. M. Kadish and R. S. Ruoff), The Electrochemical Society, Inc. 1998年
Polyhedral Silicon Compounds

The Chemistry of Organosilicon Compounds(Eds. , Z. Rappoport and Y. Apeloig), John Wiley 1998年
Novel Fullerene-Based Organosilicon Compounds

Recent Advances in the Chemistry and Physics of Fullerenes and Related Materials(Eds. , K. M. Kadish and R. S. Ruoff), The Electrochemical Society, Inc. 1997年
Structural Features of Isolated Endohedral Metallofullerenes

Recent Advances in the Chemistry and Physics of Fullerenes and Related Materials(Eds. , K. M. Kadish and R. S. Ruoff), The Electrochemical Society, Inc. 1997年
Chemical Derivatization of Fullerenes with Oranosilicon Compounds

Recent Advances in the Chemistry and Physics of Fullerenes and Related Materials(Eds. , K. M. Kadish and R. S. Ruoff), The Electrochemical Society, Inc. 1997年
Cage Structures and Metal Positions of Endohedral Dimetallofullerenes

Recent Advances in the Chemistry and Physics of Fullerenes and Related Materials(Eds. , K. M. Kadish and R. S. Ruoff), The Electrochemical Society, Inc. 1997年
Chemical Reactivity of Metallofullerenes(共著)

同上 1996年
ESR Study on Electronic Structure and Chemical Reactivity of Metallofullerenes(共著)

同上 1996年
Endohedral Dimetallofullerenes : Structures and Properties of Sc┣D22┫D2@C┣D284┫D2 and La┣D22┫D2@C┣D280┫D2(共著)

同上 1996年
The Internal Motion of Metal Atoms in the Endohedral Fullerenes(共著)

Recent Advances in the Chemistry and Physics of Follereues and Related Materials 1996年
The Structures and Electronic Properties of Endohedral Metallofullerenes

Fullerenes and Fullerene Nanostructures 1996年

もっとみる

永瀬茂

基本情報

研究分野

経歴

論文

MISC

書籍等出版物

共同研究・競争的資金等の研究課題

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