Nakayama Naofumi

ナカヤマナオフミ | Nakayama Naofumi

Affiliation and department：
Job title：主任研究員

Research field (1)： Basic physical chemistry

Research keywords (3)： Quantum Chemistry , Molecular Force Field , Computational Chemistry

Research theme for competitive and other funds (2)：

2021 - 2024 Development of a general-purpose force field for analyzing the crystal structure and dynamic behavior of organometallic complexes
2017 - 2022 Development of Crystal Potential of Metal Complex and Mechanism Analysis of Polymorphic Transition Phenomena

Papers (42)：

Yuki Miyamoto, Ayami Hiramoto, Kana Iwakuni, Susumu Kuma, Katsunari Enomoto, Naofumi Nakayama, Masaaki Baba. Analysis on high-resolution spectrum of the S1-S0 transition of free-base phthalocyanine. The Journal of Chemical Physics. 2024
Norihisa Yamasaki, Chihiro Matsuhashi, Hironaga Oyama, Hidehiro Uekusa, Junko Morikawa, Meguya Ryu, Tetsuya Tsujii, Naofumi Nakayama, Shigeaki Obata, Hitoshi Goto, et al. An Inhibition Effect on an Intracrystalline Reaction by a Crystal Lattice: Analyses of the Chemiluminescence Reaction of 9,10-Diphenylanthracene Endoperoxide Initiated by Heating of a Crystal Sample. Bulletin of the Chemical Society of Japan. 2023
Naofumi Nakayama, Hitoshi Goto. Molecular Crystal Calculation Prospects for Structural Phase Transitions. The Materials Research Society Series. 2023. 179-208
Toshiharu Katori, Sachi Kunishige, Masaaki Baba, Naofumi Nakayama, Takayoshi Ishimoto, Akiko Nishiyama, Sho Yamasaki, Masatoshi Misono. Electronic, vibrational, and rotational analysis of 1,2-benzanthracene by high-resolution spectroscopy referenced to an optical frequency comb. The Journal of Chemical Physics. 2022. 157. 23. 234303-234303
Kaito Nomiya, Naoki Nakatani, Naofumi Nakayama, Hitoshi Goto, Masayuki Nakagaki, Shigeyoshi Sakaki, Masaki Yoshida, Masako Kato, Masahiko Hada. Theoretical Study on the Vapochromic Ni(II)-Quinonoid Complex: One-Dimensional Stacking Structure-Based Color Switching. The Journal of Physical Chemistry A. 2022. 126. 42. 7687-7694

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MISC (55)：

内海洋平, 奥脇弘次, 小畑繁昭, 五十幡康弘, 中山尚史, 後藤仁志, 古石誉之, 福澤薫, 米持悦生. Advancement of Crystal Structure Prediction for Risk Assessment. 日本薬剤学会年会講演要旨集(CD-ROM). 2022. 37th
濱田信次, 宮下真人, 都築誠二, 下位幸弘, 小畑繁昭, 中山尚史, 後藤仁志, 後藤仁志. 高精度量子化学計算に基づく分子間ポテンシャルに関する考察. 日本コンピュータ化学会年会講演予稿集. 2019. 2019. 78
Naofumi Nakayama, Shigeaki Obata, Hitoshi Gotoh, Miki Hasegawa. Force field parameters for modeling the soft crystals of lanthanides (Nd, Eu, Gd, Tb, and Ho) complexes. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 2018. 256
Naofumi Nakayama, Shigeaki Obata, Hitoshi Gotoh, Tomohiro Seki, Hajime Ito. Soft crystal force field for elucidation of crystal-crystal phase transition of gold isocyanide complexes. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 2018. 255
堀芳和, 榎本大義, 小畑繁昭, 中山尚史, 後藤仁志, 関朋宏, 伊藤肇. ソフトクリスタルの多形転移解析法の探求. 日本コンピュータ化学会年会講演予稿集. 2018. 2018. 41

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Books (2)：

Soft Crystals Flexible Response Systems with High Structural Order
Springer Singapore 2023 ISBN:9789819902590
計算化学
丸善 2004 ISBN:4621073117

Lectures and oral presentations (27)：

計算化学的手法のソフトクリスタルへの応用
(日本化学会第104春季年会 2024)
Gaussian16を光化学に適用するための操作と基礎知識
(光化学応用講座2023ー光化学に役立つ量子化学計算ー 2023)
High-resolution Laser Spectroscopy and the Zeeman effect : Dibenzothiophene
(The 6th Asian Workshop on Molecular Spectroscopy 2022)
High-resolution laser spectroscopy of S1<-S0 transition of trans-stilbene
(The 6th Asian Workshop on Molecular Spectroscopy 2022)
Ni(II)キノノイド錯体のベイポクロミズムに関する理論的研究
(錯体化学会第72回討論会 2022)

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Education (2)：

Professional career (1)：

Work history (3)：

Awards (1)：

2021/12 - BCSJ Award Article Computational Studies for Crystal Structures of Helicate Lanthanide Complexes Based on X-ray Analyses

Association Membership(s) (4)：

分子科学会 , CBI学会 , SOCIETY OF COMPUTER CHEMISTRY , THE CHEMICAL SOCIETY OF JAPAN

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