IDA Tomonori - Directory of Researchers at Kanazawa University

Faculty, Affiliation

Faculty of Chemistry, Institute of Science and Engineering

College and School Educational Field

Division of Material Chemistry, Graduate School of Natural Science and Technology
Division of Material Chemistry, Graduate School of Natural Science and Technology
Course in Chemistry, School of Chemistry, College of Science and Engineering

Laboratory

Theoretical Chemistry　TEL:076-264-5688　FAX:076-264-5742

Academic Background

【Academic background(Doctoral/Master's Degree)】
Kanazawa University　Doctor　Graduate School, Division of Science and Technology　200103　Accomplished credits for doctoral program
【Academic background(Bachelor's Degree)】
Kanazawa University　199403

Career

MITSUBISHI Paper mills　Tokyo Lab.(1996/04/01-1998/03/20)

Year & Month of Birth

1971/04

Academic Society

The chemical society of japan
The chemical society of japan
Japan society of molecular science
Theoretical Chemistry

Award

Specialities

Basic chemistry

Speciality Keywords

Theoretical Chemistry, Quantum Chemistry

Research Themes

Development of computational method for ionized and excited states by electron propagator

We calculate ionization potential and excited energy of molecule and cluster by using electron propagator method. The method is useful to calculate multi-ionized and high excited states of molecule and observed electron spectra of the states are analyzed by the propagator.

X-ray photoelectron and emission spectrum simulation of molecule

X-ray photoelectron and emission spectrum simulations of organic compounds are performed by application of molecular orbital theory or density functional theory (DFT). Particularly X-ray emission spectrum is analyzed using precise calculation of core-hole state by DFT.

Quantum wave packet simulation on hydrodynamics

Quantum wave packet simulation is a useful method to reproduce photo-chemical reaction or electron transfer in which quantum effect plays important role. Wave packet simulation applied hydrodynamics is expected as a new method in deal with multi- dimension or level system. We investigate the quantum effect in chemical reaction by the method.

Books

Papers

　Revisiting Formic Acid Decomposition by a Graph-Theoretical Approach　Tomonori Ida,Manami Nishida,Yuta Hori　Journal of Physical Chemistry A　123　44　9579　2019/11/07
　Proton Conduction Mechanism for Anhydrous Imidazolium Hydrogen Succinate Based on Local Structures and Molecular Dynamics　Yuta Hori,Shun Dekura,Yoshiya Sunairi,Tomonori Ida,Motohiro Mizuno,Hatsumi Mori,Yasuteru Shigeta　The Journal of Physical Chemistry Letters　12　22　5390　2021/06/10　
　Gaussian process model of 51-dimensional potential energy surface for protonated imidazole dimer　Hiroki Sugisawa,Tomonori Ida,R. V. Krems　Journal of Chemical Physics　153　11　2020/09/21
　Construction of a Potential Energy Surface Based on a Diabatic Model for Proton Transfer in Molecular Pairs　Hori Yuta,Ida Tomonori,Mizuno Motohiro　Concepts, Methods and Applications of Quantum Systems in Chemistry and Physics　179　2018/01
　Quantum structural fluctuations of protonated water clusters (H 2 O) n H ⁺ (n = 1 − 4) studied by variational molecular dynamics method　Hiroki Sugisawa,Tomonori Ida,Shinichi Miura　Journal of Molecular Liquids　284　157　2019/06/15

show all

　Luminescence spectral analysis for Eu(III), and the dinuclear (Zn(II), Cu(II)) complexes with organic ligands by quantum chemical methods　Kazunaka Endo,Tomonori Ida,Atsuo Yamazaki,Takashiro Akitsu,Yuko Hasegawa　Chemical Physics　529　2020/01/15
　Local structures and electronic properties of In atoms in In-doped ZnO　Yuta Hori,Yoshihito Shiota,Tomonori Ida,Kazunari Yoshizawa,Motohiro Mizuno　Thin Solid Films　685　428　2019/09/01
　N-Heterocyclic Carbene-Catalyzed Chemoselective Monoacylation of 1,n-Linear Diols.　Takahiro Soeta,Kota Kaneta,Yuichi Hatanaka,Tomonori Ida,Yutaka Ukaji　Organic letters　23　21　8138　2021/11/05
　Route to phonon-mediated high-Temperature unconventional superconductivity　Fang Han Lim,Tomonori Ida,Mona Berciu　Physical Review B　103　6　2021/02/17
　Molecular motions of imidazole in poly(vinylphosphonic acid)-imidazole composites investigated by molecular dynamics simulations　Yuta Hori,Toshiya Suetake,Yasuteru Shigeta,Tomonori Ida,Motohiro Mizuno　Chemistry Letters　50　1　17　2021
　Local Structures and Dynamics of Imidazole Molecules in Poly(vinylphosphonic acid)-Imidazole Composite Investigated by Molecular Dynamics　Yuta Hori,Toshiya Suetake,Yoshihito Shiota,Kazunari Yoshizawa,Yasuteru Shigeta,Tomonori Ida,Motohiro Mizuno　ACS APPLIED POLYMER MATERIALS　2　4　1561　2020/04
　Proton Conduction Mechanism in Proton-Conducting PVPA-xIm Composites Investigated by Theoretical Approaches　Yuta HORI,Toshiya SUETAKE,Tomonori IDA,Motohiro MIZUNO,Yasuteru SHIGETA　Journal of Computer Chemistry, Japan　19　4　131　2020　?
　Anhydrous purely organic solid-state proton conductors: Effects of molecular dynamics on the proton conductivity of imidazolium hydrogen dicarboxylates　Yoshiya Sunairi,Shun Dekura,Akira Ueda,Tomonori Ida,Motohiro Mizuno,Hatsumi Mori　Journal of the Physical Society of Japan　89　5　2020/05/15
　Predicting and analyzing organic reaction pathways by combining machine learning and reaction network approaches　 Tomonori Ida, Honoka Kojimaa and Yuta Hori　Chemical Communications　59　23　12439-12442　2023/09/29
　Coulson–Fischer Wave Function on Self-consistent Field and Perturbation Correction 　Masato Mogi, Tomonori Ida　Chemistry Letters　52　2　59-62　2023/01/27
　Sequential Nucleophilic Substitution of Phosphorus Trichloride with Alcohols in a Continuous-Flow Reactor and Consideration of a Mechanism for Reduced Over-reaction through the Addition of Imidazole　Hiroshi Kitamura, Yuma Otake, Naoto Sugisawa, Hiroki Sugisawa, Tomonori Ida, Hiroyuki Nakamura, Shinichiro Fuse　Chemistry A European Journal　28　37　e202200932　2022/07/01
　Electron propagator theory　Tomonori Ida　Reference Module in Chemistry, Molecular Sciences and Chemical Engineering　2017
　Molecular orientation of hydrogen-bonded liquid crystal (6BA)2-(BPy)x as Studied by 2H NMR　Mizuno, Motohiro; Higashima, Y.; Yamashita, A.; Ishida, Y.; Miyatou, T.; Kumagai, Yoshihide; Ohashi, Ryutaro; Ida, Tomonori　Hyperfine Interactions　2014/10/30　
　Local structure and dynamics of imidazole molecules in proton-conducting poly(vinylphosphonic acid)-imidazole composite material　Mizuno, Motohiro; Iwasaki, Ayano; Umiyama, Tsuyoshi; Ohashi, Ryutaro; Ida, Tomonori　Macromolecules　47　21　7469-7476　2014/11/11　
　Local structure and molecular motions in imidazolium hydrogen malonate crystal as studied by 2H and 13C NMR　Mizuno, Motohiro; Chizuwa, M.; Umiyama, Tsuyoshi; Kumagai, Yoshihide; Miyatou, T.; Ohashi, Ryutaro; Ida, Tomonori; Tansho, Masataka; Shimizu, Tadashi　Hyperfine Interactions　2014/10/30

Conference Presentations

Rules of Organic Reaction by Machine Learning(2022/09/19)

Others

Arts and Fieldwork

Patent

Theme to the desired joint research

Grant-in-Aid for Scientific Research

○「スピン対称化ハートリー-フォック法による化学結合のパラダイムシフト」(2019-2023)　
○「電子伝播関数を用いた分子の多価イオン状態の計算手法開発」(2012-2014)　
○「二電子伝播関数法を用いた水クラスターの分子間クーロン崩壊に関する研究」(2008-)　
○「新規固体核磁気共鳴シミュレーション解析法による配位空間の研究」(2006-)　
○「理論的表面分光装置の開発」(2006-)　
○「多参照系を用いた新規二電子伝播関数の開発」(2016-2018)　

Competitive research funding,Contribution

Collaborative research,Consignment study

Classes (Bachelors)

○World of Chemistry(2017)
○Introduction to Region-studies(2017)
○Lecture on Life in Campus and Society(2017)
○Theoretical Chemistry III(2017)
○Introduction of Chemistry B(2017)
○Experiments in Basic Chemistry A(2017)
○Experiments in Basic Chemistry C(2017)
○World of Chemistry(2017)
○World of Chemistry(2016)
○Experiments in Basic Chemistry C(2016)
○Theoretical Chemistry III(2016)

Classes (Graduate Schools)

○Quantum Physical Chemistry(2017)
○Material Analysis Chemistry I(2017)
○Seminar in Material Analysis(2017)
○Quantum Physical Chemistry(2017)
○Quantum Chemistry(2017)
○Quantum Physical Chemistry(2017)
○Quantum Physical Chemistry(2017)
○Seminar in Material Analysis(2017)
○Material Analysis Chemistry I(2016)
○Quantum Physical Chemistry(2016)
○Seminar in Material Analysis(2016)
○Seminar in Material Analysis(2016)
○Quantum Chemistry(2016)

Associate Professor　IDA Tomonori

Faculty, Affiliation

College and School Educational Field

Laboratory

Academic Background

Career

Year & Month of Birth

Academic Society

Award

Specialities

Speciality Keywords

Research Themes

Development of computational method for ionized and excited states by electron propagator

X-ray photoelectron and emission spectrum simulation of molecule

Quantum wave packet simulation on hydrodynamics

Books

Papers

Conference Presentations

Others

Arts and Fieldwork

Patent

Theme to the desired joint research

Grant-in-Aid for Scientific Research

Competitive research funding,Contribution

Collaborative research,Consignment study

Classes (Bachelors)

Classes (Graduate Schools)

International Project

International Students

Lecture themes

Others (Social Activities)

Associate Professor IDA Tomonori

Faculty, Affiliation

College and School Educational Field

Laboratory

Academic Background

Career

Year & Month of Birth

Academic Society

Award

Specialities

Speciality Keywords

Research Themes

Development of computational method for ionized and excited states by electron propagator

X-ray photoelectron and emission spectrum simulation of molecule

Quantum wave packet simulation on hydrodynamics

Books

Papers

Conference Presentations

Others

Arts and Fieldwork

Patent

Theme to the desired joint research

Grant-in-Aid for Scientific Research

Competitive research funding,Contribution

Collaborative research,Consignment study

Classes (Bachelors)

Classes (Graduate Schools)

International Project

International Students

Lecture themes

Others (Social Activities)

Associate Professor　IDA Tomonori