Nakayama Naofumi 中山尚史

Researcher Number	90402669
Other IDs
Affiliation (Current)	2025: コンフレックス株式会社(研究), 研究, 主任研究員
Affiliation (based on the past Project Information) *help	2020 – 2023: コンフレックス株式会社(研究), 研究, 主任研究員
Review Section/Research Field	Principal Investigator Basic Section 34010:Inorganic/coordination chemistry-related Except Principal Investigator Science and Engineering
Keywords	Principal Investigator 結晶相転移 / 結晶構造 / フラグメント分子軌道法 / 希土類元素 / 分子力場ポテンシャル / ベンズ(a)アントラセン / 結晶構造探索 / Ni(II)-キノノイド錯体 / ベイポクロミズム / 発光特性 … More / 希土類錯体 / 結合クラスター計算 / フリーベースフタロシアニン / 9,10-ジフェニルアントラセン / 密度汎関数計算 / 化学発光 / 有機金属錯体 / 分子性結晶 / 分子力場 … More Except Principal Investigator 結晶相転移ダイナミクス / 結晶多形 / 結晶振動（フォノン）モードによる結晶構造変位 / 結晶構造の基準振動解析 / 有機超弾性現象 / ドミノ型相転移現象 / 相転移ダイナミクス解析 / 超弾性メカニズム解析 / 相転移動力学追跡 / 格子振動（フォノン） / 結晶力場ポテンシャル / 動的反応座標解析 / 有機金属錯体 / 密度版関数理論法 / 分子力学法と結晶力場 / 配座空間探索 / 分子力学法 / 密度汎関数理論法 / 結晶力場 / 結晶多形探索 / 結晶構造予測 Less

Development of a general-purpose force field for analyzing the crystal structure and dynamic behavior of organometallic complexesPrincipal Investigator
- Principal Investigator
  
  Nakayama Naofumi
- Project Period (FY)
  2021 – 2023
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 34010:Inorganic/coordination chemistry-related
- Research Institution
  CONFLEX Corporation
Development of Crystal Potential of Metal Complex and Mechanism Analysis of Polymorphic Transition Phenomena
- Principal Investigator
  
  Goto Hitoshi
- Project Period (FY)
  2017 – 2021
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  Toyohashi University of Technology

All 2024 2023 2022 2021 2020 2019 2018

All Journal Article Presentation

[Journal Article] Analysis on high-resolution spectrum of the <i>S</i>1?<i>S</i>0 transition of free-base phthalocyanine2024
- Author(s)
  Miyamoto Yuki、Hiramoto Ayami、Iwakuni Kana、Kuma Susumu、Enomoto Katsunari、Nakayama Naofumi、Baba Masaaki
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 160 Issue: 14 Pages: 144304-144304
- DOI
  10.1063/5.0191810
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21K05105, KAKENHI-PROJECT-21H04644, KAKENHI-PROJECT-23K22520
[Journal Article] An Inhibition Effect on an Intracrystalline Reaction by a Crystal Lattice: Analyses of the Chemiluminescence Reaction of 9,10-Diphenylanthracene Endoperoxide Initiated by Heating a Crystal Sample2023
- Author(s)
  Yamasaki Norihisa、Matsuhashi Chihiro、Oyama Hironaga、Uekusa Hidehiro、Morikawa Junko、Ryu Meguya、Tsujii Tetsuya、Nakayama Naofumi、Obata Shigeaki、Goto Hitoshi、Maki Shojiro、Hirano Takashi
- Journal Title
  
  Bulletin of the Chemical Society of Japan
  
  Volume: 96 Issue: 8 Pages: 793-801
- DOI
  10.1246/bcsj.20230121
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-22K05032, KAKENHI-PROJECT-21K05105, KAKENHI-PROJECT-23K23405
[Journal Article] Electronic, vibrational, and rotational analysis of 1,2-benzanthracene by high-resolution spectroscopy referenced to an optical frequency comb2022
- Author(s)
  Katori Toshiharu、Kunishige Sachi、Baba Masaaki、Nakayama Naofumi、Ishimoto Takayoshi、Nishiyama Akiko、Yamasaki Sho、Misono Masatoshi
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 157 Issue: 23 Pages: 234303-234303
- DOI
  10.1063/5.0129297
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21K05105, KAKENHI-PROJECT-22K05044, KAKENHI-PLANNED-20H05739, KAKENHI-PLANNED-18H05517
[Journal Article] Preparation of photonic molecular trains via soft-crystal polymerization of lanthanide complexes2022
- Author(s)
  Ferreira da Rosa Pedro Paulo、Kitagawa Yuichi、Shoji Sunao、Oyama Hironaga、Imaeda Keisuke、Nakayama Naofumi、Fushimi Koji、Uekusa Hidehiro、Ueno Kosei、Goto Hitoshi、Hasegawa Yasuchika
- Journal Title
  
  Nature Communications
  
  Volume: 13 Issue: 1 Pages: 3660-3660
- DOI
  10.1038/s41467-022-31164-z
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-21K05105, KAKENHI-PROJECT-22K05032, KAKENHI-PROJECT-21K18969, KAKENHI-PUBLICLY-22H04516, KAKENHI-PLANNED-21H05237
[Journal Article] Theoretical Study on the Vapochromic Ni(II)-Quinonoid Complex: One-Dimensional Stacking Structure-Based Color Switching2022
- Author(s)
  Nomiya Kaito、Nakatani Naoki、Nakayama Naofumi、Goto Hitoshi、Nakagaki Masayuki、Sakaki Shigeyoshi、Yoshida Masaki、Kato Masako、Hada Masahiko
- Journal Title
  
  The Journal of Physical Chemistry A
  
  Volume: 126 Issue: 42 Pages: 7687-7694
- DOI
  10.1021/acs.jpca.2c06079
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21K05094, KAKENHI-PROJECT-21K05105, KAKENHI-PROJECT-19K22171, KAKENHI-PROJECT-23K21101
[Journal Article] Computational Studies for Crystal Structures of Helicate Lanthanide Complexes Based on X-ray Analyses2021
- Author(s)
  Nakayama Naofumi、Hijikata Masahiro、Ohmagari Hitomi、Tanaka Hideyuki、Inazuka Yudai、Saito Daisuke、Obata Shigeaki、Ohta Kazuo、Kato Masako、Goto Hitoshi、Hasegawa Miki
- Journal Title
  
  Bulletin of the Chemical Society of Japan
  
  Volume: 94 Issue: 12 Pages: 2973-2981
- DOI
  10.1246/bcsj.20210339
- NAID
  130008144728
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20K15041, KAKENHI-PLANNED-17H06373, KAKENHI-PLANNED-17H06374, KAKENHI-PROJECT-21K05105, KAKENHI-PLANNED-17H06367
[Journal Article] Improving the Accuracy of Crystal Structure Prediction Using FMO Crystal Energy: An Example of Target XXIII2021
- Author(s)
  UTSUMI Yohei、UMEDA Daiki、OKUWAKI Koji、OBATA Shigeaki、NAKAYAMA Naofumi、GOTO Hitoshi、FURUISHI Takayuki、FUKUZAWA Kaori、YONEMOCHI Etsuo
- Journal Title
  
  J. Comput. Chem. Jpn.
  
  Volume: 20 Issue: 3 Pages: 92-93
- DOI
  10.2477/jccj.2021-0041
- NAID
  130008122397
- ISSN
  1347-1767, 1347-3824
- Language
  Japanese
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PLANNED-17H06373, KAKENHI-PROJECT-21K05105
[Journal Article] Selective Formation and SHG Intensity of Noncentrosymmetric and Centrosymmetric 1,1,2,2-Tetramethyl-1-(4-(N,N-dimethylamino)phenyl)-2-(2′-cyanophenyl)disilane Crystals under External Stimuli2020
- Author(s)
  Nishio Masaki、Shimada Masaki、Omoto Kenichiro、Nakae Toyotaka、Maeda Hiroaki、Miyachi Mariko、Yamanoi Yoshinori、Nishibori Eiji、Nakayama Naofumi、Goto Hitoshi、Matsushita Tomonori、Kondo Takashi、Hattori Mineyuki、Jimura Keiko、Hayashi Shigenobu、Nishihara Hiroshi
- Journal Title
  
  The Journal of Physical Chemistry C
  
  Volume: 124 Issue: 32 Pages: 17450-17458
- DOI
  10.1021/acs.jpcc.0c03139
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-19K05627, KAKENHI-PLANNED-17H06369, KAKENHI-PUBLICLY-20H04656, KAKENHI-PLANNED-17H06373
[Journal Article] Crystal Structure Prediction; From the Present to the Future2020
- Author(s)
  OBATA Shigeaki、NAKAYAMA Naofumi、GOTO Hitoshi
- Journal Title
  
  Nihon Kessho Gakkaishi
  
  Volume: 62 Issue: 4 Pages: 260-268
- DOI
  10.5940/jcrsj.62.260
- NAID
  130007961755
- ISSN
  0369-4585, 1884-5576
- Year and Date
  2020-12-22
- Language
  Japanese
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PLANNED-17H06373
[Journal Article] Thermosalience in macrocycle-based soft crystals via anisotropic deformation of disilanyl architecture2020
- Author(s)
  Omoto, K.; Nakae, T.; Nishio, M.; Yamanoi, Y.;* Kasai, H.; Nishibori, E.; Mashimo, T.; Seki, T.; Ito, H.; Nakamura, K.; Kobayashi, N.; Nishihara, H.*
- Journal Title
  
  J. Am. Chem. Soc.
  
  Volume: 142 Issue: 29 Pages: 12651-12657
- DOI
  10.1021/jacs.0c03643
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-19K05627, KAKENHI-PLANNED-17H06369, KAKENHI-PLANNED-17H06377, KAKENHI-PUBLICLY-19H04555, KAKENHI-PUBLICLY-20H04656, KAKENHI-PROJECT-19H02784, KAKENHI-PROJECT-19K15530, KAKENHI-PLANNED-17H06373
[Journal Article] Computational chemical analysis of Ru(II)-Pheox-catalyzed highly enantioselective intramolecular cyclopropanation reactions2018
- Author(s)
  Nakagawa Yoko、Nakayama Naofumi、Goto Hitoshi、Fujisawa Ikuhide、Chanthamath Soda、Shibatomi Kazutaka、Iwasa Seiji
- Journal Title
  
  Chirality
  
  Volume: 31 Issue: 1 Pages: 52-61
- DOI
  10.1002/chir.23033
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16J06159, KAKENHI-PLANNED-17H06373
[Journal Article] Ligand Exchange Reaction on a Ru(II)-Pheox Complex as a Mechanistic Study of Catalytic Reactions2018
- Author(s)
  Nakagawa Yoko、Imokawa Yusuke、Fujisawa Ikuhide、Nakayama Naofumi、Goto Hitoshi、Chanthamath Soda、Shibatomi Kazutaka、Iwasa Seiji
- Journal Title
  
  ACS Omega
  
  Volume: 3 Issue: 9 Pages: 11286-11289
- DOI
  10.1021/acsomega.8b01510
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16J06159, KAKENHI-PLANNED-17H06373
[Journal Article] Soft Crystal Force Field for Reproducing the Crystal Structures of Aryl Gold Isocyanide Complexes2018
- Author(s)
  NAKAYAMA Naofumi、OBATA Shigeaki、HORI Yoshikazu、GOTO Hitoshi、SEKI Tomohiro、ITO Hajime
- Journal Title
  
  J. Comput. Chem. Jpn.
  
  Volume: 17 Issue: 3 Pages: 155-157
- DOI
  10.2477/jccj.2018-0031
- NAID
  130007503976
- ISSN
  1347-1767, 1347-3824
- Language
  English
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PUBLICLY-17H05134, KAKENHI-PUBLICLY-17H05344, KAKENHI-PLANNED-17H06370, KAKENHI-PROJECT-16H06034, KAKENHI-PLANNED-17H06373
[Presentation] 計算化学的手法のソフトクリスタルへの応用2024
- Author(s)
  中山尚史
- Organizer
  日本化学会第104春季年会
- Invited
- Data Source
  KAKENHI-PROJECT-21K05105
[Presentation] Crystal Structure Prediction with Force Field, DFT-D3, and FMO Techniques2023
- Author(s)
  Shigeaki Obata, Yohei Utsumi, Yasuhiro Ikabata, Koji Okuwaki, Kaori Fukuzawa, Naofumi Nakayama, Etsuo Yonemochi, Hitoshi Goto
- Organizer
  26TH CONGRESS AND GENERAL ASSEMBLY OF THE INTERNATIONAL UNION OF CRYSTALLOGRAPHY (IUCr2023)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21K05105
[Presentation] Triboluminescence via chemical reaction of nitrate at the interface of chiral lanthanide complex pillars2022
- Author(s)
  Reo OHNO, Yukina YAMAMOTO, Akira SASO, Hitomi OHMAGARI, Daisuke SAITO, Masanobu KARASAWA, Masako KATO, Kazuyuki ISHII, Naofumi NAKAYAMA, Miki HASEGAWA
- Organizer
  錯体化学会第72回討論会
- Data Source
  KAKENHI-PROJECT-21K05105
[Presentation] 高分解能レーザー分光によるtrains-スチルベンのS1←S0遷移の研究2022
- Author(s)
  清水陽、笠原俊二、馬場正昭、中山尚史
- Organizer
  第16回分子科学討論会
- Data Source
  KAKENHI-PROJECT-21K05105
[Presentation] 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2022
- Author(s)
  野宮海音、中山尚史、後藤仁志、加藤昌子、中谷直輝、波田雅彦
- Organizer
  錯体化学会第72回討論会
- Data Source
  KAKENHI-PROJECT-21K05105
[Presentation] 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2022
- Author(s)
  野宮海音、中山尚史、後藤仁志、加藤昌子、中谷直輝、波田雅彦
- Organizer
  第24回理論化学討論会
- Data Source
  KAKENHI-PROJECT-21K05105
[Presentation] FMO結晶エネルギーを用いた結晶構造予測の高精度化～結晶構造予測Target XXIIIを例として～2021
- Author(s)
  内海洋平、梅田大貴、奥脇弘次、小畑繁昭、中山尚史、後藤仁志、古石誉之、福澤薫、米持悦生
- Organizer
  日本コンピュータ化学会2021年春季年会
- Data Source
  KAKENHI-PROJECT-21K05105
[Presentation] ECD calculation based on π-electron SCF-CI-DV method including external Coulomb interaction2019
- Author(s)
  Naofumi Nakayama
- Organizer
  17th Conference on Chiroptical Spectroscopy -CD2019- Pisa
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-17H06373
[Presentation] The calculation of electronic circular dichroism (ECD) spectra based on Pariser-Parr-Pople (PPP) model including external Coulomb interaction2019
- Author(s)
  Naofumi Nakayama
- Organizer
  The 2nd International Symposium on Soft Crystals
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-17H06373
[Presentation] 分子・分子性結晶の機能を解明するための計算化学ソフトウェアの利活用2019
- Author(s)
  中山尚史
- Organizer
  日本化学会第99春季年会
- Invited
- Data Source
  KAKENHI-PLANNED-17H06373
[Presentation] Computational analysis of Ru(II)-Pheox-catalyzed enantioselective intramolecular cyclopropanation reaction2019
- Author(s)
  Naofumi Nakayama
- Organizer
  17th Conference on Chiroptical Spectroscopy -CD2019- Pisa
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-17H06373
[Presentation] Force field parameters for modeling the soft crystals of lanthanides (Nd, Eu, Gd, Tb, and Ho) complexes2018
- Author(s)
  Naofumi Nakayama, Shigeaki Obata, Hitoshi Goto, Miki Hasegawa
- Organizer
  256th ACS National Meeting & Exposition
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-17H06373
[Presentation] ソフトクリスタルの結晶力場の構築：フェニル（フェニルイソシアニド）金（I）の場合2018
- Author(s)
  中山尚史、小畑繁昭、堀芳和、後藤仁志、関朋宏、伊藤肇
- Organizer
  日本コンピュータ化学会2018春季年会
- Data Source
  KAKENHI-PLANNED-17H06373
[Presentation] Soft crystal force field for elucidation of crystal-crystal phase transition of gold isocyanide complexes2018
- Author(s)
  Naofumi Nakayama, Shigeaki Obata, Yoshikazu Hori, Hitoshi Goto, Tomohiro Seki, Hajime Ito
- Organizer
  255th ACS National Meeting & Exposition
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-17H06373
[Presentation] Soft crystal force field for elucidation of crystal-crystal phase transition of gold isocyanidecomplexes2018
- Author(s)
  NaofumiNakayama, ShigeakiObata, Hitoshi Goto, Tomohiro Seki, Hajime Ito
- Organizer
  255th ACS National Meeting and Exposition
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-17H06373
[Presentation] 金属錯体の結晶ポテンシャルの開発と多形転移現象のメカニズム解析2018
- Author(s)
  後藤仁志、中山尚史、小畑繁昭
- Organizer
  日本コンピュータ化学会2018春季年会
- Data Source
  KAKENHI-PLANNED-17H06373

1. Goto Hitoshi (60282042)

# of Collaborated Projects: 1 results

# of Collaborated Products: 5 results
2. 植草秀裕

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
3. 山野井慶徳

# of Collaborated Projects: 0 results

# of Collaborated Products: 2 results
4. 大曲仁美

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
5. 吉田将己

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results

Nakayama Naofumi 中山 尚史

Research Projects

Research Products

Co-Researchers

Development of a general-purpose force field for analyzing the crystal structure and dynamic behavior of organometallic complexesPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Development of Crystal Potential of Metal Complex and Mechanism Analysis of Polymorphic Transition Phenomena

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

[Journal Article] Analysis on high-resolution spectrum of the <i>S</i>1?<i>S</i>0 transition of free-base phthalocyanine2024

Author(s)

Journal Title

DOI

Data Source

[Journal Article] An Inhibition Effect on an Intracrystalline Reaction by a Crystal Lattice: Analyses of the Chemiluminescence Reaction of 9,10-Diphenylanthracene Endoperoxide Initiated by Heating a Crystal Sample2023

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Electronic, vibrational, and rotational analysis of 1,2-benzanthracene by high-resolution spectroscopy referenced to an optical frequency comb2022

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Preparation of photonic molecular trains via soft-crystal polymerization of lanthanide complexes2022

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Theoretical Study on the Vapochromic Ni(II)-Quinonoid Complex: One-Dimensional Stacking Structure-Based Color Switching2022

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Computational Studies for Crystal Structures of Helicate Lanthanide Complexes Based on X-ray Analyses2021

Author(s)

Journal Title

DOI

NAID

Data Source

[Journal Article] Improving the Accuracy of Crystal Structure Prediction Using FMO Crystal Energy: An Example of Target XXIII2021

Author(s)

Journal Title

DOI

NAID

ISSN

Language

Data Source

[Journal Article] Selective Formation and SHG Intensity of Noncentrosymmetric and Centrosymmetric 1,1,2,2-Tetramethyl-1-(4-(N,N-dimethylamino)phenyl)-2-(2′-cyanophenyl)disilane Crystals under External Stimuli2020

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Crystal Structure Prediction; From the Present to the Future2020

Author(s)

Journal Title

DOI

NAID

ISSN

Year and Date

Language

Data Source

[Journal Article] Thermosalience in macrocycle-based soft crystals via anisotropic deformation of disilanyl architecture2020

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Computational chemical analysis of Ru(II)-Pheox-catalyzed highly enantioselective intramolecular cyclopropanation reactions2018

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Ligand Exchange Reaction on a Ru(II)-Pheox Complex as a Mechanistic Study of Catalytic Reactions2018

Nakayama Naofumi 中山尚史