中山　 哲 （ Nakayama Akira ）

システムID: NakayamaAkira
中山　 哲 （ナカヤマ アキラ）
Nakayama Akira
メールアドレス：（ログイン後閲覧できます）
Web：http://www.cat.hokudai.ac.jp/hasegawa/
所属班A03班　分子機能の設計・計測
研究課題不揮発性抵抗変化メモリの動作機構解明と集積化への展開
役割研究代表者
役職准教授
所属研究機関北海道大学
触媒科学研究所　触媒理論研究部門　
所在地 〒001-0021
北海道 札幌市北区北21条西10丁目
電話番号（ログイン後閲覧できます）
FAX番号（ログイン後閲覧できます）
専門分野理論化学
研究キーワード量子シミュレーション

Papers List

2017

[19] Formation of a New, Strongly Basic Nitrogen Anion by Metal Oxide Modification

Masazumi Tamura; Ryota Kishi; Akira Nakayama; Yoshinao Nakagawa; Jun-ya Hasegawa; Keiichi Tomishige
J. Am. Chem. Soc., 139, 34, 11857 - 11867, 2017
DOI: 10.1021/jacs.7b05227

[18] Photo-induced beta-Elimination of 9-Fluorenylmethanol Leading to Dibenzofulvene

Hassan Nageh; Liming Zhao; Akira Nakayama; Jun-ya Hasegawa; Yue Wang; Tamaki Nakano
Chem. Comm., 53, 60, 8431 - 8434, 2017
DOI: 10.1039/C7CC03297H

[17] Thermally activated delayed fluorescence OLEDs with fully solution processed organic layers exhibiting nearly 10% external quantum efficiency

Ken Albrecht; Kenichi Matsuoka; Daisuke Yokoyama; Yoshiya Sakai; Akira Nakayama; Katsuhiko Fujita; Kimihisa Yamamoto
Chem. Comm., 53, 16, 2439 - 2442, 2017
DOI: 10.1039/C6CC09275F

2016

[16] A QM/MM Study of Absorption Spectra of Uracil Derivatives in Aqueous Solution

Akira Nakayama
AIP Conf. Proc., 1790, 020018, 2016
DOI: 10.1063/1.4968644

[15] Electronic Polarization Effect of the Water Environment in Charge-Separated Donor-Acceptor Systems: An Effective Fragment Potential Model Study

Kazuma Yanai; Kazuya Ishimura; Akira Nakayama; Michael W. Schmidt; Mark S. Gordon; Jun-ya Hasegawa
J. Phys. Chem. A, 120, 51, 10273 - 10280, 2016
DOI: 10.1021/acs.jpca.6b10552

[14] Spin-Blocking Effect in CO and H2 Binding Reactions to Molybdenocene and Tungstenocene: A Theoretical Study on the Reaction Mechanism via the Minimum Energy Intersystem Crossing Point

K-jiro Watanabe; Naoki Nakatani; Akira Nakayama; Masahiro Higashi; Jun-ya Hasegawa
Inorg. Chem., 55, 16, 8082 - 8090, 2016
DOI: 10.1021/acs.inorgchem.6b01187

[13] A DFT and multi-configurational perturbation theory study on O2 binding to a model heme compound via the spin-change barrier

Yuya Kitagawa; Yue Chen; Naoki Nakatani; Akira Nakayama; Jun-ya Hasegawa
Phys. Chem. Chem. Phys., 18, 27, 18137 - 18144, 2016
DOI: 10.1039/C6CP02329K

2015

[12] Total Synthesis of Palau’amine

Kosuke Namba; Kohei Takeuchi; Yukari Kaihara; Masataka Oda; Akira Nakayama; Atsushi Nakayama; Masahiro Yoshida; Keiji Tanino
Nat. Commun., 6, 8731, 2015
DOI: 10.1038/ncomms9731

[11] Energy dissipative photo-protective mechanism of carotenoid spheroidene from the photoreaction center of purple bacteria Rhodobacter sphaeroides

Sundaram Arulmozhiraja; Naoki Nakatani; Akira Nakayama; Jun-ya Hasegawa
Phys. Chem. Chem. Phys., 17, 36, 23468 - 23480, 2015
DOI: 10.1039/C5CP03089G

[10] Synthesis of yellow and red fluorescent 1,3a,6a-triazapentalenes and the theoretical investigation of their optical properties

*Kosuke Namba; Ayumi Osawa; *Akira Nakayama; Akane Mera; Fumi Tano; Yoshiro Chuman; Eri Sakuda; Tetsuya Taketsugu; Kazuyasu Sakaguchi; Noboru Kitamura; *Keiji Tanino
Chem. Sci., 6, 2, 1083 - 1093, 2015/February/01
DOI: 10.1039/C4SC02780A

[9] HXeI and HXeH in Ar, Kr, and Xe matrices: Experiment and simulation

Cheng Zhu; Keisuke Niimi; Tetsuya Taketsugu; Masashi Tsuge; *Akira Nakayama; *Leonid Khriachtchev
J. Chem. Phys., 142, 5, 054305-1 - 054305-10, 2015/February/07
DOI: 10.1063/1.4906875

[8] Excited-State Relaxation of Hydrated Thymine and Thymidine Measured by Liquid-Jet Photoelectron Spectroscopy: Experiment and Simulation

Franziska Buchner; *Akira Nakayama; Shohei Yamazaki; Hans-Hermann Ritze; *Andrea Lübcke
J. Am. Chem. Soc., 137, 8, 2931 - 2938, 2015/February/11
DOI: 10.1021/ja511108u

[7] Matrix site effects on vibrational frequencies of HXeCCH, HXeBr, and HXeI: a hybrid quantum-classical simulation

Keisuke Niimi; Tetsuya Taketsugu; *Akira Nakayama
Phys. Chem. Chem. Phys., 17, 7872 - 7880, 2015/February/17
DOI: 10.1039/C5CP00568J

2014

[6] LiHe spectra from brown dwarfs to helium clusters

*N.F. Allard; A. Nakayama; F. Stienkemeier; J.F. Kielkopf; G. Guillon; A. Viel
Advances in Space Research, 54, 7, 1290 - 1296, 2014/October/01
DOI: 10.1016/j.asr.2013.08.032

[5] Vibrational Shifts of HXeCl in Matrix Environments

Keisuke Niimi; *Akira Nakayama; Yuriko Ono; Tetsuya Taketsugu
J. Phys. Chem. A, 118, 2, 380 - 387, 2014/December/27
DOI: 10.1021/jp411298p

[4] Adsorption and Catalytic Activation of the Molecular Oxygen on the Metal Supported h-BN

Andrey Lyalin; Akira Nakayama; Kohei Uosaki; Tetsuya Taketsugu
Topics in Catalysis, 57, 10-13, 1032 - 1041, 2014/June
DOI: 10.1007/s11244-014-0267-7

[3] Boron Nitride Nanosheet on Gold as an Electrocatalyst for Oxygen Reduction Reaction: Theoretical Suggestion and Experimental Proof

*Kohei Uosaki; Ganesan Elumalai; Hidenori Noguchi; Takuya Masuda; Andrey Lyalin; Akira Nakayama; Tetsuya Taketsugu
J. Am. Chem. Soc., 136, 18, 6542 - 6545, 2014/April/28
DOI: 10.1021/ja500393g

[2] Excited States of a Significantly Ruffled Porphyrin: Computational Study on Structure-Induced Rapid Decay Mechanism via Intersystem Crossing

Fu-Quan Bai; Naoki Nakatani; Akira Nakayama; *Jun-ya Hasegawa
J. Phys. Chem. A, 118, 23, 4184 - 4194, 2014/May/19
DOI: 10.1021/jp502349h

[1] Quantum Chemical Investigations on the Nonradiative Deactivation Pathways of Cytosine Derivatives

*Akira Nakayama; Shohei Yamazaki; Tetsuya Taketsugu
J. Phys. Chem. A, 118, 40, 9429 - 9437, 2014/September/02
DOI: 10.1021/jp506740r