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Development of new XAS computational scheme including metal atoms

Research Project

Project/Area Number 15K04755
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Research Field Computational science
Research InstitutionHiroshima University

Principal Investigator

TAKAHASHI OSAMU  広島大学, サステナブル・ディベロップメント実践研究センター, 特任講師 (60253051)

Research Collaborator KOBAYASHI EIICHI  
TAMENORI YUSUKE  
Project Period (FY) 2015-04-01 – 2018-03-31
Project Status Completed (Fiscal Year 2017)
Budget Amount *help
¥4,940,000 (Direct Cost: ¥3,800,000、Indirect Cost: ¥1,140,000)
Fiscal Year 2017: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2016: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Fiscal Year 2015: ¥2,470,000 (Direct Cost: ¥1,900,000、Indirect Cost: ¥570,000)
Keywords放射線、X線、粒子線 / 内殻励起 / 化学物理
Outline of Final Research Achievements

Due to advances in synchrotron radiation technology in recent years spectroscopy in the X-ray region has progressed rapidly. Information due to emitted electrons, light absorption and emission after X-ray irradiation reflects the local structure of molecules and reaction dynamics. X-ray spectroscopy is drawing attention as one of the leading tools for elucidating the reaction mechanism. However, its interpretation is still insufficient to do experiments only, support by theoretical calculation is essential to accelerate understanding. The aim of this research project is establishment of a novel theoretical calculation method for X-ray spectroscopy into metal-containing systems. The spectroscopy focused on in this application is the X-ray absorption spectroscopy (XAS) of K- and L-shell excitations, and develops a computational scheme based on ab initio molecular orbital theory and density functional theory.

Report

(4 results)
  • 2017 Annual Research Report   Final Research Report ( PDF )
  • 2016 Research-status Report
  • 2015 Research-status Report
  • Research Products

    (52 results)

All 2018 2017 2016 2015 Other

All Int'l Joint Research (2 results) Journal Article (30 results) (of which Int'l Joint Research: 12 results,  Peer Reviewed: 30 results,  Open Access: 6 results,  Acknowledgement Compliant: 11 results) Presentation (18 results) (of which Int'l Joint Research: 4 results,  Invited: 1 results) Book (2 results)

  • [Int'l Joint Research] Stockholm University(Sweden)

    • Related Report
      2017 Annual Research Report
  • [Int'l Joint Research] University of Turku(Finland)

    • Related Report
      2017 Annual Research Report
  • [Journal Article] XANES spectra of forsterite in crystal, surface, and amorphous states2018

    • Author(s)
      O. Takahashi, Y. Tamenori, T. Suenaga, T. Ikeda- Fukazawa, J. Matsuno, and A. Tsuchiyama
    • Journal Title

      AIP Advances

      Volume: 8 Issue: 2 Pages: 025107-025107

    • DOI

      10.1063/1.5017245

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Site-selective bond scission of methylbenzoate following core excitation2018

    • Author(s)
      Takahashi Osamu、Kooser Kuno、Ha Dang Trinh、Myllynen Hanna、Laksman Joakim、Rachlew Elisabeth、Kukk Edwin
    • Journal Title

      Physical Chemistry Chemical Physics

      Volume: 20 Issue: 14 Pages: 9591-9599

    • DOI

      10.1039/c7cp08428e

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Theoretical double-core-hole spectroscopy of cytosine tautomers2018

    • Author(s)
      Osamu Takahashi
    • Journal Title

      J. Electron Spectrosc. Relat. Phenom.

      Volume: 印刷中

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] XAS and XES studies of carbonate and bicarbonate ions in aqueous solutions2017

    • Author(s)
      Nishida Naohiro、Horikawa Yuka、Tokushima Takashi、Takahashi Osamu
    • Journal Title

      Journal of Electron Spectroscopy and Related Phenomena

      Volume: 220 Pages: 96-100

    • DOI

      10.1016/j.elspec.2016.12.006

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Theoretical study on X-ray absorption spectra and bond dynamics for core excitation from valence excited benzoic acids2017

    • Author(s)
      Inui H.、Takahashi O.、Hiraya A.
    • Journal Title

      Journal of Electron Spectroscopy and Related Phenomena

      Volume: 220 Pages: 101-104

    • DOI

      10.1016/j.elspec.2016.12.005

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Relativistic corrections for single- and double-core excitation at the K- and L-edges from Li to Kr2017

    • Author(s)
      Takahashi Osamu
    • Journal Title

      Computational and Theoretical Chemistry

      Volume: 1102 Pages: 80-86

    • DOI

      10.1016/j.comptc.2017.01.007

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Core-hole-induced dynamical effects in the x-ray emission spectrum of liquid methanol2017

    • Author(s)
      Ljungberg M. P.、Zhovtobriukh I.、Takahashi O.、Pettersson L. G. M.
    • Journal Title

      The Journal of Chemical Physics

      Volume: 146 Issue: 13 Pages: 134506-134506

    • DOI

      10.1063/1.4979656

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] X-ray Emission Spectrum of Liquid Ethanol: Origin of Split Peaks2017

    • Author(s)
      Takahashi Osamu、Ljungberg Mathias P.、Pettersson Lars G. M.
    • Journal Title

      The Journal of Physical Chemistry B

      Volume: 121 Issue: 49 Pages: 11163-11168

    • DOI

      10.1021/acs.jpcb.7b09262

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Vibration Spectrum Calculation Method for Solid Organic Crystals by Spectral Analysis Method2017

    • Author(s)
      末永 太河、高橋 修
    • Journal Title

      Journal of Computer Chemistry, Japan

      Volume: 16 Issue: 4 Pages: 108-109

    • DOI

      10.2477/jccj.2017-0027

    • NAID

      130006892726

    • ISSN
      1347-1767, 1347-3824
    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Electronic Structure and XANES Calculations of Silicate Compounds2016

    • Author(s)
      高橋 修、末永 太河
    • Journal Title

      Journal of Computer Chemistry, Japan

      Volume: 15 Issue: 6 Pages: 211-212

    • DOI

      10.2477/jccj.2016-0058

    • NAID

      130005300083

    • ISSN
      1347-1767, 1347-3824
    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Molecular Dynamics and First-principles Studies of Structural Change in 1,3,5-Triamino-2,4,6-trinitrobenzene (TATB) in Crystalline State under High Pressure: Comparison of Hydrogen Bond Systems of TATB versus 1,3-Diamino-2,4,6-trinitrobenzene (DATB)2016

    • Author(s)
      Yuji Kohno, Kazuki Mori, Reiko Hiyoshi, Osamu Takahashi, Kazuyoshi Ueda
    • Journal Title

      Chem. Phys

      Volume: 472 Pages: 163-172

    • DOI

      10.1016/j.chemphys.2016.04.002

    • Related Report
      2016 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] XAS and RIXS study of acetic acid and methyl formate in liquid2016

    • Author(s)
      O. Takahashi (*), N. Nishida, S. Kanai, Y. Horikawa, and T. Tokushima
    • Journal Title

      J. Phys. Conf. Ser.

      Volume: 712 Pages: 012040-012040

    • DOI

      10.1088/1742-6596/712/1/012040

    • Related Report
      2016 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Correlation between Soft X-ray Absorption and Emission Spectra of the Nitrogen Atoms within Imidazolium-based Ionic Liquids2016

    • Author(s)
      Y. Horikawa, T. Tokushima, O. Takahashi, H. Hoke, T. Takamuku
    • Journal Title

      J. Phys. Chem. B

      Volume: 120 Issue: 30 Pages: 7480-7487

    • DOI

      10.1021/acs.jpcb.6b04132

    • Related Report
      2016 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Cooperative self-assembly of carbazole derivative driven by multiple dipole-dipole interactions2016

    • Author(s)
      Toshiaki Ikeda, Tatsuya Iijima, Ryo Sekiya, Osamu Takahashi, Takeharu Haino
    • Journal Title

      The Journal of Organic Chemistry

      Volume: 81 Issue: 15 Pages: 6832-6837

    • DOI

      10.1021/acs.joc.6b01169

    • Related Report
      2016 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Site-Specific Electron-Relaxation Caused by Si:2p Core-Level Photoionization: Comparison between F3SiCH2CH2Si(CH3)3 and Cl3SiCH2CH2Si(CH3)3 Vapors by Means of Photoelectron Auger-Electron Coincidence Spectroscopy2016

    • Author(s)
      Shin-ichi Nagaoka, Takuhiro Kakiuchi, Joji Ohshita, Osamu Takahashi, and Yasumasa Hikosaka
    • Journal Title

      J. Phys. Chem. A

      Volume: 120 Issue: 50 Pages: 9907-9915

    • DOI

      10.1021/acs.jpca.6b09399

    • Related Report
      2016 Research-status Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Double-core-hole Electron Spectroscopy for Relatively Large Molecules2016

    • Author(s)
      高橋修(*)
    • Journal Title

      Journal of Computer Chemistry, Japan

      Volume: 14 Issue: 6 Pages: 206-208

    • DOI

      10.2477/jccj.2015-0057

    • NAID

      130005125139

    • ISSN
      1347-1767, 1347-3824
    • Related Report
      2016 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Electronic State and Structure of Carbonate in Aqueous Solution by Soft X-ray Spectroscopy2016

    • Author(s)
      西田尚大,徳島高,堀川裕加,高橋修(*)
    • Journal Title

      Journal of Computer Chemistry, Japan

      Volume: 15 Issue: 3 Pages: 53-54

    • DOI

      10.2477/jccj.2016-0030

    • NAID

      130005605871

    • ISSN
      1347-1767, 1347-3824
    • Related Report
      2016 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Investigation of Organoiron Catalysis in Kumada-Tamao-Corriu-Type Cross-Coupling Reaction Assisted by Solution-Phase X-ray Absorption Spectroscopy2015

    • Author(s)
      Takaya, H.; Nakajima, S.; Nakagawa, N.; Isozaki, K.; Iwamoto, T.; Imayoshi, R.; Gower, N.; Adak, L.; Hatakeyama, T.; Honma, T.; Takagi, M.; Sunada, Y.; Nagashima, H.; Hashizume, D.; Takahashi, O.; Nakamura, M.
    • Journal Title

      Bull. Chem. Soc. Jpn.

      Volume: 88 Issue: 3 Pages: 410-418

    • DOI

      10.1246/bcsj.20140376

    • NAID

      130004801843

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Journal Article] Theoretical study of the X-ray natural circular dichroism of some amino acids in crystal2015

    • Author(s)
      O. Takahashi, M. Kimoto, and L. G. M. Pettersson
    • Journal Title

      Chem. Phys.

      Volume: 450-451 Pages: 109-114

    • DOI

      10.1016/j.chemphys.2015.01.012

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Mg coordination in biogenic carbonates constrained by theoretical and experimental XANES2015

    • Author(s)
      T. Yoshimura, Y. Tamenori, O. Takahashi, L. T. Nguyen, H. Hasegawa, N. Iwasaki, A. Kuroyanagi, A. Suzuki, and H. Kawahata
    • Journal Title

      Earth. Planet. Sci. Lett.

      Volume: 421 Pages: 68-74

    • DOI

      10.1016/j.epsl.2015.03.048

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Covariance maing of two-photon double core hole states in C2H2 and C2H6 produced by an X-ray free electron laser2015

    • Author(s)
      M. Mucke, O. Takahashi, et al
    • Journal Title

      New J. Phys.

      Volume: 17 Issue: 7 Pages: 073002-10

    • DOI

      10.1088/1367-2630/17/7/073002

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Substituent electron push-pull interaction in intermolecular resonance-assisted hydrogen bonds: A case of thymine-adenine base pair2015

    • Author(s)
      K. Tabayashi and O. Takahashi
    • Journal Title

      Bull. Chem. Soc. Japan

      Volume: 88 Issue: 10 Pages: 1466-1478

    • DOI

      10.1246/bcsj.20150113

    • NAID

      130005102814

    • Related Report
      2015 Research-status Report
    • Peer Reviewed
  • [Journal Article] Theoretical study for geometry relaxation following core-excitation: H2O, NH3, and CH42015

    • Author(s)
      O. Takahashi, N. Kunitake, and S. Takaki
    • Journal Title

      J. Phys. B: At. Mol. Opt. Phys.

      Volume: 48 Issue: 20 Pages: 204001-9

    • DOI

      10.1088/0953-4075/48/20/204001

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Probing chemical environment with molecular double core-hole electron spectroscopy2015

    • Author(s)
      O. Takahashi, N. V. Kryzhevoi, and K. Ueda
    • Journal Title

      J. Electron Spectrosc. Relat. Phenom.

      Volume: 204 PartB Pages: 290-302

    • DOI

      10.1016/j.elspec.2015.08.015

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Core-excitation from excited triplet states of organic molecules: X-ray absorption spectra and doubly excited potential curves2015

    • Author(s)
      S. Nagashima, K. Yamamoto, O. Takahashi, and A. Hiraya
    • Journal Title

      J. Phys. Conf. Ser.

      Volume: 635 Issue: 11 Pages: 112058-1

    • DOI

      10.1088/1742-6596/635/11/112058

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] A Theoretical Study on the Selective Oxygen K-edge Soft X-ray Emission Spectroscopy of Liquid Acetic Acid2015

    • Author(s)
      N. Nishida, K. Kanai, T. Tokushima, Y. Horikawa, and O. Takahashi
    • Journal Title

      Chem. Phys. Lett.

      Volume: 640 Pages: 55-60

    • DOI

      10.1016/j.cplett.2015.10.021

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Journal Article] Double core-hole states in SiX4 (X= F, Cl, Br, and CH3) molecules derived by photoelectron and KLL Auger spectroscopy2015

    • Author(s)
      R. Puttner, T. Marchenko, R. Guillemin, L. Journel, G. Goldsztejn, J. P. Rueff, D. Ceolin, D. W. Lindle, A. Lago, K. Ueda, O. Takahashi, M. Piancastelli, and M. Simon
    • Journal Title

      J. Phys. Conf. Ser.

      Volume: 635 Issue: 11 Pages: 112057-1

    • DOI

      10.1088/1742-6596/635/11/112057

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Disentangling formation of multiple-core holes in aminophenol molecules exposed to bright X-FEL radiation2015

    • Author(s)
      V. Zhaunerchyk, O. Takahashi et al
    • Journal Title

      J. Phys. Conf. Ser.

      Volume: 48 Issue: 24 Pages: 244003-9

    • DOI

      10.1088/0953-4075/48/24/244003

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Molecular Interaction Dependence of Liquid Acetic acid and Methyl Formate2015

    • Author(s)
      西田尚大, 金井清二, 徳島高, 堀川裕加,高橋修
    • Journal Title

      Journal of Computer Chemistry, Japan

      Volume: 14 Issue: 3 Pages: 60-62

    • DOI

      10.2477/jccj.2015-0026

    • NAID

      130005099919

    • ISSN
      1347-1767, 1347-3824
    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] 高精度量子化学計算による弱い水素結合の研究2015

    • Author(s)
      高橋修
    • Journal Title

      CBI学会誌

      Volume: 3 Pages: 17-21

    • Related Report
      2015 Research-status Report
    • Peer Reviewed
  • [Presentation] Mg水素化物中のMg K吸収端のXANESスペクトル2018

    • Author(s)
      ○小林英一,坂東恭子,奥平幸司,高橋修,岡島敏浩
    • Organizer
      第31回日本放射光学会年会・放射光科学合同シンポジウム,2018年1月8-10日,つくば
    • Related Report
      2017 Annual Research Report
  • [Presentation] 軟X線分光によるリチウムーグライム錯体系溶液の電子状態観測2018

    • Author(s)
      ○松村準也,徳島高,高橋修,堀川裕加
    • Organizer
      第31回日本放射光学会年会・放射光科学合同シンポジウム,2018年1月8-10日,つくば
    • Related Report
      2017 Annual Research Report
  • [Presentation] 水溶液中のシュウ酸の選択的軟X線発光分光実験と量子化学計算の直接比較による解析2018

    • Author(s)
      ○山村涼介,末永太河,徳島高,高橋修
    • Organizer
      第31回日本放射光学会年会・放射光科学合同シンポジウム,2018年1月8-10日,つくば
    • Related Report
      2017 Annual Research Report
  • [Presentation] ケイ酸塩鉱物の電子状態及びXANES計算2017

    • Author(s)
      末永太河, 高橋修
    • Organizer
      第30回日本放射光学会年会放射光化学合同シンポジウム
    • Place of Presentation
      神戸
    • Year and Date
      2017-01-07
    • Related Report
      2016 Research-status Report
  • [Presentation] Simulations of H-bonded liquids2017

    • Author(s)
      O. Takahashi
    • Organizer
      Uteo XES workshop, July 28 - August 4, 2017, Stockholm, Sweden
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] スペクトル解析法による固体有機結晶の新規振動スペクトル計算法の開発2017

    • Author(s)
      ○末永太河,高橋修
    • Organizer
      2017年日本コンピュータ化学会春季年会,2017年6月8-9日,東京
    • Related Report
      2017 Annual Research Report
  • [Presentation] 水溶液中のジカルボン酸の選択的軟X線発光分光2017

    • Author(s)
      ○山村涼介,末永太河,徳島高,高橋修
    • Organizer
      第11回分子科学討論会,2017年9月15-18日,仙台
    • Related Report
      2017 Annual Research Report
  • [Presentation] 赤外吸収スペクトル法と理論計算を用いた超高圧下におけるトリハロメタンの構造変化の観測2017

    • Author(s)
      ○末永太河,高橋修
    • Organizer
      第11回分子科学討論会,2017年9月15-18日,仙台
    • Related Report
      2017 Annual Research Report
  • [Presentation] 軟X線分光による二酸化炭素を吸収する酢酸系イオン液体の電子状態研究2017

    • Author(s)
      5.○戸畑敦貴,森山諒平,徳島高,高橋修,梅林泰宏,堀川裕加
    • Organizer
      第40回溶液科学シンポジウム,2017年10月18―20日,姫路
    • Related Report
      2017 Annual Research Report
  • [Presentation] 軟X線分光によるリチウムーグライム錯体系溶液の電子状態観測2017

    • Author(s)
      ○松村準也,徳島高,高橋修,梅林泰宏,堀川裕加
    • Organizer
      第40回溶液科学シンポジウム,2017年10月18―20日,姫路
    • Related Report
      2017 Annual Research Report
  • [Presentation] ケイ酸塩鉱物の電子状態及びXANES計算2016

    • Author(s)
      高橋修
    • Organizer
      2016年日本コンピュータ化学会秋季年会
    • Place of Presentation
      松江
    • Year and Date
      2016-10-30
    • Related Report
      2016 Research-status Report
  • [Presentation] 超高圧下におけるエネルギー物質TATBの理論的研究2016

    • Author(s)
      末永太河, 高橋修
    • Organizer
      2016年日本コンピュータ化学会秋季年会
    • Place of Presentation
      松江
    • Year and Date
      2016-10-30
    • Related Report
      2016 Research-status Report
  • [Presentation] XAS and XES study of carbonate in aqueous solution2016

    • Author(s)
      N. Nishida, Y. Horikawa, T. Tokushima, O. Takahashi
    • Organizer
      39th International Conference on Vacuum Ultraviolet and X-ray Physics (VUVX2016)
    • Place of Presentation
      Zurich, Switzerland
    • Year and Date
      2016-07-03
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research
  • [Presentation] 比較的大きな分子に対する内殻二重正孔分光2015

    • Author(s)
      高橋修
    • Organizer
      2015年日本コンピュータ化学会秋季年会
    • Place of Presentation
      函館
    • Year and Date
      2015-10-30
    • Related Report
      2015 Research-status Report
  • [Presentation] 弱酸水溶液を対象とした軟X線発光分光のpH依存性に対する理論研究2015

    • Author(s)
      西田尚大, 堀川裕加, 徳島高, 高橋修
    • Organizer
      2015年日本コンピュータ化学会秋季年会
    • Place of Presentation
      函館
    • Year and Date
      2015-10-30
    • Related Report
      2015 Research-status Report
  • [Presentation] XAS and RIXS study of acetic acid and methyl formate in liquid2015

    • Author(s)
      2.N. Nishida, S. Kanai, Y. Horikawa, T. Tokushima, and O. Takahashi
    • Organizer
      16th international conference on X-ray absorption fine structure
    • Place of Presentation
      Karlsruhe, Germany
    • Year and Date
      2015-08-23
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research
  • [Presentation] Theoretical Study on Core level spectroscopy with core-hole excited state dynamics2015

    • Author(s)
      O. Takahashi
    • Organizer
      22nd WIEN2k workshop
    • Place of Presentation
      Institute of high performance computing, Singapore
    • Year and Date
      2015-06-24
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research
  • [Presentation] 液体状態における酢酸, ギ酸メチルの分子間相互作用依存性2015

    • Author(s)
      西田尚大, 金井清二, 徳島高, 堀川裕加, 高橋修
    • Organizer
      2015年日本コンピュータ化学会春季年会
    • Place of Presentation
      東京工業大学
    • Year and Date
      2015-05-28
    • Related Report
      2015 Research-status Report
  • [Book] Intermolecular Interactions in Crystals: Fundamentals of Crystal Engineering, Edited by Juan J. Novoa2018

    • Author(s)
      Osamu Takahashi, Motohiro Nishio
    • Total Pages
      26
    • Publisher
      Royal Society of Chemistry
    • ISBN
      9781782621737
    • Related Report
      2017 Annual Research Report
  • [Book] CH...pi Interaction in Organic Molecules, S. Scheiner (ed.) Noncovalent Forces, Challenges and Advances in Computational Chemistry and Physics 192015

    • Author(s)
      O. Takahashi
    • Total Pages
      22
    • Publisher
      Springer
    • Related Report
      2015 Research-status Report

URL: 

Published: 2015-04-16   Modified: 2019-03-29  

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