Shimazaki Tomomi 島崎智実

… Alternative Names

島崎智実シマザキトモミ

TOMOMI Shimazaki 島崎智実

SHIMAZAKI Tomomi 島崎智実

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Researcher Number	40551544
Affiliation (Current)	2025: 横浜市立大学, 生命ナノシステム科学研究科(八景キャンパス), 教授
Affiliation (based on the past Project Information) *help	2022 – 2023: 横浜市立大学, 生命ナノシステム科学研究科(八景キャンパス), 准教授 2018: 神戸大学, 科学技術イノベーション研究科, 特命講師 2015 – 2018: 国立研究開発法人理化学研究所, 計算科学研究機構, 研究員 2013 – 2014: 独立行政法人理化学研究所, 計算科学研究機構, 研究員 2012: 独立行政法人理化学研究所, 量子系分子科学研究チーム, 研究員 2009 – 2010: Tohoku University, 大学院・工学研究科, 助教
Review Section/Research Field	Principal Investigator Physical chemistry / Basic Section 32010:Fundamental physical chemistry-related Except Principal Investigator Design engineering/Machine functional elements/Tribology
Keywords	Principal Investigator 第一原理計算 / DFT / 有機薄膜太陽電池 / 凝集系 / ab-initio / 量子化学 / 色素 / 励起状態 / 誘電率依存 / NFA … More / dielectric-dependent DFT / 誘電率依存DFT / 誘電関数 / 密度汎関数法 / 励起子分離過程 / バンドオフセット / バンド構造 / シミュレーション / 変換効率 / 電化分離過程 / メゾスコピック / 励起子解離 / バルクヘテロジャンクション / エネルギー変換効率 / デバイスシミュレーション / hot CT state / 励起子分離 / プログラム作成 / 第一原理理論 / 密度汎関数理論 / 核量子効果 / 周期境界 / 周期境界条件 / 水素量子効果 / 分子動力学 / フーリエ変換 / ガウス基底 / GFT法 / 第一原理 / 物理化学 … More Except Principal Investigator ダイヤモンドライクカーボン / 高耐摩耗性化 / 超低摩擦 / 自動車用潤滑剤 / トライボ反応シミュレータ / 第一原理分子動力学法 Less

第一原理計算およびデバイス・モデルによる非フラーレン・アクセプター材料の機能解明Principal Investigator
- Principal Investigator
  
  島崎智実
- Project Period (FY)
  2022 – 2024
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 32010:Fundamental physical chemistry-related
- Research Institution
  Yokohama City University
第一原理計算に基づいた有機薄膜太陽電池の励起子拡散プロセス改善Principal Investigator
- Principal Investigator
  
  島崎智実
- Project Period (FY)
  2018 – 2020
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 32010:Fundamental physical chemistry-related
- Research Institution
  Institute of Physical and Chemical Research
First principles simulation study on dissociation process between electron and hole in organic photocellPrincipal Investigator
- Principal Investigator
  
  Shimazaki Tomomi
- Project Period (FY)
  2015 – 2018
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical chemistry
- Research Institution
  Kobe University
  Institute of Physical and Chemical Research
Development of large-scale first-principles quantum chemistry method with quantum hydrogen effectPrincipal Investigator
- Principal Investigator
  
  TOMOMI Shimazaki
- Project Period (FY)
  2012 – 2014
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical chemistry
- Research Institution
  The Institute of Physical and Chemical Research
第一原理分子動力学法に基づくトライボ反応シミュレータの開発と自動車用潤滑剤の設計
- Principal Investigator
  
  久保百司
- Project Period (FY)
  2010 – 2012
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Design engineering/Machine functional elements/Tribology
- Research Institution
  Tohoku University
First-principles molecular dynamics study based on Gaussian & Fourier Transform (GFT)Principal Investigator
- Principal Investigator
  
  SHIMAZAKI Tomomi
- Project Period (FY)
  2009 – 2010
- Research Category
  
  Grant-in-Aid for Research Activity Start-up
- Research Field
  
  Physical chemistry
- Research Institution
  Tohoku University

All 2023 2022 2018 2017 2016 2015 2014 2013 2011 2010 Other

All Journal Article Presentation

[Journal Article] Time-dependent dielectric density functional theory predictions for excited-state molecular properties using neural networks guided by lower-level quantum chemistry2023
- Author(s)
  Shimazaki Tomomi、Tachikawa Masanori
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 829 Pages: 140744-140744
- DOI
  10.1016/j.cplett.2023.140744
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22K05038
[Journal Article] Theoretical Analysis of Hydrogen-Bonded Structures of the Enhanced Green Fluorescent Protein with Multi-Component Density Functional Theory2023
- Author(s)
  Takakuwa Mio、Kita Yukiumi、Shimazaki Tomomi、Kanematsu Yusuke、Ishimoto Takayoshi、Adachi Motoyasu、Tachikawa Masanori
- Journal Title
  
  Bulletin of the Chemical Society of Japan
  
  Volume: 96 Issue: 7 Pages: 711-716
- DOI
  10.1246/bcsj.20230085
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22K05038
[Journal Article] Metal Single‐Atom Cocatalyst on Carbon Nitride for the Photocatalytic Hydrogen Evolution Reaction: Effects of Metal Species2023
- Author(s)
  Akinaga Yuki、Kawawaki Tokuhisa、Kameko Hinano、Yamazaki Yuki、Yamazaki Kenji、Nakayasu Yuhi、Kato Kosaku、Tanaka Yuto、Hanindriyo Adie Tri、Takagi Makito、Shimazaki Tomomi、Tachikawa Masanori、Yamakata Akira、Negishi Yuichi
- Journal Title
  
  Advanced Functional Materials
  
  Volume: 33 Issue: 33 Pages: 23033211-8
- DOI
  10.1002/adfm.202303321
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-23K17905, KAKENHI-PROJECT-22K04917, KAKENHI-PROJECT-22K05038, KAKENHI-PLANNED-20H05838, KAKENHI-PUBLICLY-23H03993
[Journal Article] Stability and bonding nature of positronic lithium molecular dianion2023
- Author(s)
  Ito Shumpei、Yoshida Daisuke、Kita Yukiumi、Shimazaki Tomomi、Tachikawa Masanori
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 158 Issue: 20 Pages: 204303-204303
- DOI
  10.1063/5.0150246
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23K17905, KAKENHI-PROJECT-21K04983, KAKENHI-PROJECT-22K05038, KAKENHI-PUBLICLY-23H03993
[Journal Article] Theoretical Study of the Molecular Passivation Effect of Lewis Base/Acid on Lead-Free Tin Perovskite Surface Defects2023
- Author(s)
  Naito Takumi、Takagi Makito、Tachikawa Masanori、Yamashita Koichi、Shimazaki Tomomi
- Journal Title
  
  The Journal of Physical Chemistry Letters
  
  Volume: 14 Issue: 29 Pages: 6695-6701
- DOI
  10.1021/acs.jpclett.3c01450
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23K17905, KAKENHI-PROJECT-22K05038, KAKENHI-PUBLICLY-23H03993
[Journal Article] Theoretical investigations of positron affinities and their structure-dependent properties of carbon dioxide clusters (CO2)n(n=1~5)2023
- Author(s)
  Miku Furushima, Makito Takagi, Daisuke Yoshida, Yukiumi Kita, Tomomi Shimazaki and Masanori Tachikawa
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 25 Issue: 1 Pages: 625-632
- DOI
  10.1039/d2cp03788b
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21K04983, KAKENHI-PROJECT-22K20550, KAKENHI-PUBLICLY-21H00026, KAKENHI-PROJECT-23K17905, KAKENHI-PROJECT-22K05038, KAKENHI-PUBLICLY-23H03993
[Journal Article] Decomposition analysis on the excitation behaviors of thiazolothiazole (TTz)-based dyes <i>via</i> the time-dependent dielectric density functional theory approach2022
- Author(s)
  Naito Takumi、Kita Yukiumi、Shimazaki Tomomi、Tachikawa Masanori
- Journal Title
  
  RSC Advances
  
  Volume: 12 Issue: 53 Pages: 34685-34693
- DOI
  10.1039/d2ra06454e
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PUBLICLY-21H00026, KAKENHI-PROJECT-22K05038
[Journal Article] Theoretical study of the effect of nonlocal short-range exchange on calculations of molecular excitation energies in the dielectric screened-exchange method2022
- Author(s)
  Shimazaki Tomomi、Tachikawa Masanori
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 802 Pages: 139740-139740
- DOI
  10.1016/j.cplett.2022.139740
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-21H00026, KAKENHI-PROJECT-22K05038
[Journal Article] A comprehensive theoretical study of positron binding and annihilation properties of hydrogen bonded binary molecular clusters2022
- Author(s)
  Daisuke Yoshida, Yukiumi Kita, Tomomi Shimazaki, Masanori Tachikawa
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 24(43) Issue: 43 Pages: 26898-26907
- DOI
  10.1039/d2cp03813g
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21K04983, KAKENHI-PROJECT-22K20550, KAKENHI-PUBLICLY-21H00026, KAKENHI-PROJECT-22K05038
[Journal Article] Theoretical study on mesoscopic-size impurity effects in the charge separation process of organic photocells2018
- Author(s)
  Shimazaki Tomomi、Tashiro Motomichi、Nakajima Takahito
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 20 Issue: 21 Pages: 14846-14854
- DOI
  10.1039/c7cp08125a
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16K05307, KAKENHI-PROJECT-15K05403
[Journal Article] Group molecular orbital approach to solve the Huzinaga subsystem self-consistent- field equations2017
- Author(s)
  T. Shimazaki, K. Kitaura, D. G. Fedorov, and T. Nakajima
- Journal Title
  
  J. Chem. Phys
  
  Volume: 146 Issue: 8 Pages: 084109-084109
- DOI
  10.1063/1.4976646
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-15K05403
[Journal Article] PubChemQC Project: A Large-Scale First-Principles Electronic Structure Database for Data-Driven Chemistry2017
- Author(s)
  M. Nakata and T. Shimazaki
- Journal Title
  
  J. Chem. Inf. Model
  
  Volume: 57 Issue: 6 Pages: 1300-1308
- DOI
  10.1021/acs.jcim.7b00083
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-15K05403
[Journal Article] Theoretical Study on Hot Charge-Transfer States and Dimensional Effects of Organic Photocells based on the Ideal Diode Model2017
- Author(s)
  T. Shimazaki and T. Nakajima
- Journal Title
  
  Phys. Chem. Chem. Phys
  
  Volume: 19 Issue: 19 Pages: 12517-12526
- DOI
  10.1039/c7cp01455d
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-15K05403
[Journal Article] Theoretical study on the cooperative exciton dissociation process based on dimensional and hot charge-transfer state effects in an organic photocell2016
- Author(s)
  T. Shimazaki and T. Nakajima
- Journal Title
  
  J. Chem. Phys.
  
  Volume: 144 Issue: 23 Pages: 234-234
- DOI
  10.1063/1.4953905
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PROJECT-15K05403
[Journal Article] Application of the dielectric-dependent screened exchange potential approach to organic photocell materials2016
- Author(s)
  T. Shimazaki and T. Nakajima
- Journal Title
  
  Phys. Chem. Chem. Phys.
  
  Volume: 18 Issue: 39 Pages: 27554-27554
- DOI
  10.1039/c6cp04863c
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PROJECT-15K05403
[Journal Article] Gaussian-based range-separation approach on Hartree Fock exchange interaction and second-order perturbation theory2015
- Author(s)
  Tomomi Shimazaki and Takahito Nakajima
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 634 Pages: 83-87
- DOI
  10.1016/j.cplett.2015.12.069
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-15K05403
[Journal Article] Theoretical study of a screened Hartree–Fock exchange potential using position-dependent atomic dielectric constants2015
- Author(s)
  T. Shimazaki and T. Nakajima
- Journal Title
  
  THE JOURNAL OF CHEMICAL PHYSICS
  
  Volume: 142 Issue: 7 Pages: 074109-074109
- DOI
  10.1063/1.4908061
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550005
[Journal Article] Range-Separation Density-Fitting Band Structure Calculation with Gaussian Auxiliary Function2014
- Author(s)
  Tomomi Shimazaki, Taichi Kosugi, and Takahito Nakajima
- Journal Title
  
  Journal of the Physical Society of Japan
  
  Volume: 83 Issue: 5 Pages: 54702-54702
- DOI
  10.7566/jpsj.83.054702
- NAID
  40020060281
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550005
[Journal Article] Dielectric-dependent screened Hartree–Fock exchange potential and Slater-formula with Coulomb-hole interaction for energy band structure calculations2014
- Author(s)
  T. Shimazaki and T. Nakajima
- Journal Title
  
  THE JOURNAL OF CHEMICAL PHYSICS
  
  Volume: 141 Issue: 11 Pages: 114109-114109
- DOI
  10.1063/1.4895623
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550005
[Journal Article] Different behavior of Young’s modulus and fracture strength of CeO2: Density functional theory calculations2014
- Author(s)
  R. Sakanoi, T. Shimazaki, J. Xu, Y. Higuchi, N. Ozawa, K. Sato, T. Hashida, M. Kubo
- Journal Title
  
  THE JOURNAL OF CHEMICAL PHYSICS
  
  Volume: 140 Issue: 12 Pages: 121102-121102
- DOI
  10.1063/1.4869515
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550005, KAKENHI-PROJECT-24686017
[Journal Article] Density functional theory analysis of methanation reaction of CO2 on Ru nanoparticle supported on TiO2 (101)2014
- Author(s)
  Satoshi Akamaru, Tomomi Shimazaki, Momoji Kubo, Takayuki Abe
- Journal Title
  
  Applied Catalysis A : General
  
  Volume: 470 Pages: 405-411
- DOI
  10.1016/j.apcata.2013.11.016
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23350073, KAKENHI-PROJECT-24550005
[Journal Article] Analytical energy gradient of Gaussian and Fourier transform(GFT)method for periodic condensed system2011
- Author(s)
  T.Shimazaki, M.Kubo
- Journal Title
  
  Chemical Physics Letter
  
  Volume: 503 Pages: 316-321
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21850002
[Journal Article] Analytical energy gradient of Gaussian and Fourier transform (GFT) method for periodic condensed system2011
- Author(s)
  T.Shimazaki, M.Kubo
- Journal Title
  
  Chem.Phys.Lett. 503
  
  Pages: 316-321
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21850002
[Journal Article] Energy band structure calculations based on screened Hartree-Fuck exchange method : Si, AIP, AIAs, GaP, and GaAs2010
- Author(s)
  T.Shimazaki, Y.Asai
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 132 Pages: 224105-224105
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21850002
[Journal Article] Energy band structure calculations based on screened Hartree-Fock exchange method : Si, AlP, AlAs, GaP, and GaAs2010
- Author(s)
  T.Shimazaki, Y.Asai
- Journal Title
  
  J.Chem.Phys. 132
  
  Pages: 224105-224105
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21850002
[Presentation] Theoretical study of time-dependent dielectric density functional theory toward molecualr systems from bulk inorganic materials2022
- Author(s)
  Tomomi Shimazaki
- Organizer
  7th International Symposium of Quantum Beam Science
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-22K05038
[Presentation] Theoretical study of exciton dissociation through hot charge transfer states in organic polymer photocell2016
- Author(s)
  Tomomi Shimazaki and Takahiato Nakajima
- Organizer
  EMM meeting on Polymer
- Place of Presentation
  Hong-Kong
- Year and Date
  2016-01-12
- Invited
- Data Source
  KAKENHI-PROJECT-15K05403
[Presentation] Theoretical study on dielectric-dependent screened Hartree-Fock and Slater potentials with Coulomb-hole interaction2014
- Author(s)
  T. Shimazaki and T. Nakajima
- Organizer
  Vietnam Malaysia International Chemical Congress
- Place of Presentation
  Hanoi, Vietnam
- Year and Date
  2014-11-07
- Invited
- Data Source
  KAKENHI-PROJECT-24550005
[Presentation] Development of range-separation density-fitting approach for band structure calculations based on Gaussian basis set2014
- Author(s)
  T. Shimazaki and T. Nakajima
- Organizer
  18th Malaysian International Chemical Congress
- Place of Presentation
  Kuala Lumpur, Malaysia
- Year and Date
  2014-11-03
- Invited
- Data Source
  KAKENHI-PROJECT-24550005
[Presentation] Development of ab-initio calculation method under periodic boundary conditions for material quantum chemistry2013
- Author(s)
  T. Shimazaki, T. Kosugi, and T. Nakajima
- Organizer
  Anuual Meeting of Japan Society for Molecular Science (2013)
- Place of Presentation
  Kyoto
- Data Source
  KAKENHI-PROJECT-24550005
[Presentation] Development of first-principles calculation method under periodic boundary condition for material quantum chemistry2013
- Author(s)
  T. Shimazaki, Taichi Kosugi, and T. Nakajima
- Organizer
  5th JCS International Symposium on Theoretical Chemistry
- Place of Presentation
  Nara
- Invited
- Data Source
  KAKENHI-PROJECT-24550005
[Presentation] 理論化学と京コンピュータ2013
- Author(s)
  島崎智実
- Organizer
  第9回創成シンポジウム
- Place of Presentation
  北海道大学、札幌
- Invited
- Data Source
  KAKENHI-PROJECT-24550005
[Presentation] Gaussian & Fourier Transform(GFT)法における解析微分法の開発および第一原理分子動力学の研究2010
- Author(s)
  島崎智実、久保百司
- Organizer
  第4回分子化学討論会
- Place of Presentation
  大阪府豊中市
- Year and Date
  2010-09-14
- Data Source
  KAKENHI-PROJECT-21850002
[Presentation] Gaussian & Fourier Transform(GFT)法における解析微分法の開発および第一原理分子動力学法の研究2010
- Author(s)
  島崎智実、久保百司
- Organizer
  第4回分子化学討論会
- Place of Presentation
  大阪府
- Year and Date
  2010-09-14
- Data Source
  KAKENHI-PROJECT-21850002
[Presentation] Ab-initio quantum chemistry study on molecular electronics, solid-state material, and condensed system2010
- Author(s)
  T.Shimazaki, M.Kubo
- Organizer
  The Second International Symposium of Experiment-Integrated Computational Chemistry on Multiscale Fluids
- Place of Presentation
  宮城県仙台市
- Year and Date
  2010-02-23
- Data Source
  KAKENHI-PROJECT-21850002
[Presentation] Ab-initio quantum chemistry study on molecular electronics, solid-state material, and condensed system2010
- Author(s)
  T.Shimazaki, M.Kubo
- Organizer
  The Second International Symposium of Experimental Computational Chemositry on Multiscale Fluid (ECCMF2)
- Place of Presentation
  Sendai, Miyagai, Japan.
- Year and Date
  2010-02-23
- Data Source
  KAKENHI-PROJECT-21850002
[Presentation] Ab-initio band structure calculation with screened Hartree-Fock (HF) exchange potential
- Author(s)
  Tomomi Shimazaki
- Organizer
  Cambodian Malaysian Chemical Conference
- Place of Presentation
  Siem Reap, Cambodia
- Invited
- Data Source
  KAKENHI-PROJECT-24550005
[Presentation] Effects of screened Hartree-Fock (HF) exchange term on first-principle band structure calculations with periodic boundary conditions
- Author(s)
  Tomomi Shimazaki
- Organizer
  17th Malaysian Chemical Congress
- Place of Presentation
  KUALAL LUMPUR, Malaysia
- Invited
- Data Source
  KAKENHI-PROJECT-24550005

1. 久保百司 (90241538)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
2. KITA YUKIUMI

# of Collaborated Projects: 0 results

# of Collaborated Products: 2 results
3. 立川仁典

# of Collaborated Projects: 0 results

# of Collaborated Products: 5 results
4. 田代基慶

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
5. 阿部孝之

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results

Shimazaki Tomomi 島崎 智実

島崎 智実 シマザキ トモミ

TOMOMI Shimazaki 島崎 智実

SHIMAZAKI Tomomi 島崎 智実

Research Projects

Research Products

Co-Researchers

第一原理計算およびデバイス・モデルによる非フラーレン・アクセプター材料の機能解明Principal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

第一原理計算に基づいた有機薄膜太陽電池の励起子拡散プロセス改善Principal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

First principles simulation study on dissociation process between electron and hole in organic photocellPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

Development of large-scale first-principles quantum chemistry method with quantum hydrogen effectPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

第一原理分子動力学法に基づくトライボ反応シミュレータの開発と自動車用潤滑剤の設計

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

First-principles molecular dynamics study based on Gaussian & Fourier Transform (GFT)Principal Investigator

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

[Journal Article] Time-dependent dielectric density functional theory predictions for excited-state molecular properties using neural networks guided by lower-level quantum chemistry2023

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Theoretical Analysis of Hydrogen-Bonded Structures of the Enhanced Green Fluorescent Protein with Multi-Component Density Functional Theory2023

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Metal Single‐Atom Cocatalyst on Carbon Nitride for the Photocatalytic Hydrogen Evolution Reaction: Effects of Metal Species2023

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Stability and bonding nature of positronic lithium molecular dianion2023

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Theoretical Study of the Molecular Passivation Effect of Lewis Base/Acid on Lead-Free Tin Perovskite Surface Defects2023

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Theoretical investigations of positron affinities and their structure-dependent properties of carbon dioxide clusters (CO2)n(n=1~5)2023

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Decomposition analysis on the excitation behaviors of thiazolothiazole (TTz)-based dyes <i>via</i> the time-dependent dielectric density functional theory approach2022

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Theoretical study of the effect of nonlocal short-range exchange on calculations of molecular excitation energies in the dielectric screened-exchange method2022

Author(s)

Shimazaki Tomomi 島崎智実

島崎智実シマザキトモミ

TOMOMI Shimazaki 島崎智実

SHIMAZAKI Tomomi 島崎智実