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Theoretical studies on the stability and dynamics of transition metal complexes and clusters in the solution phase

Theoretical studies on the stability and dynamics of transition metal complexes and clusters in the solution phase
溶液相过渡金属配合物和团簇稳定性和动力学的理论研究
批准号:
17H03009
负责人:
SATO Hirofumi
金额:
$11.56万
依托单位:
依托单位国家:
日本
项目类别:
Grant-in-Aid for Scientific Research (B)
财政年份:
2017
资助国家:
日本
项目状态:
已结题
起止时间:
2017-04-01 至 2022-03-31

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Coarse-grained modeling of nanocube self-assembly system and transition network analyses
纳米立方体自组装系统的粗粒度建模和过渡网络分析
DOI: 10.1016/j.cplett.2020.137135
发表时间: 2020
期刊: Chemical Physics Letters
影响因子: 2.8
作者: [Imamura Kosuke, Yamamoto Takeshi, Sato Hirofumi]
通讯作者: Sato Hirofumi
DOI: 10.1063/5.0079806
发表时间: 2022
期刊: The Journal of Chemical Physics
影响因子: --
作者: [Yagi Tomoaki, Sato Hirofumi]
通讯作者: Sato Hirofumi
Reference interaction site model self-consistent field with constrained spatial electron density approach for nuclear magnetic shielding in solution
溶液中核磁屏蔽的参考相互作用位点模型自洽场与约束空间电子密度方法
DOI: 10.1063/5.0122326
发表时间: 2022
期刊: The Journal of Chemical Physics
影响因子: --
作者: [Imamura Kosuke, Yokogawa Daisuke, Higashi Masahiro, Sato Hirofumi]
通讯作者: Sato Hirofumi
Solvation in nitration of benzene and the valence electronic structure of the Wheland intermediate
苯硝化中的溶剂化和 Wheland 中间体的价电子结构
DOI: 10.1039/d2cp01699k
发表时间: 2022
期刊: Physical Chemistry Chemical Physics
影响因子: 3.3
作者: [Nakatani Kaho, Teshigawara Sho, Tanahashi Yuta, Kasahara Kento, Higashi Masahiro, Sato Hirofumi]
通讯作者: Sato Hirofumi
76
    Studies on Chemical Processes in Solution Phase based on Molecular Liquid Theory and Quantum Chemistry
    • 批准号:
      25410011
    • 项目类别:
      Grant-in-Aid for Scientific Research (C)
    • 资助金额:
      $3.24万
    • 财政年份:
      2013
    • 负责人:
      SATO Hirofumi
    • 依托单位:
    Osmotic Behavior of fluorescent surfactant toward hair organism
    Developmentofnewelectronicstructuretheoriesthroughaperspectiveoftheresonancestructure
    • 批准号:
      20550013
    • 项目类别:
      Grant-in-Aid for Scientific Research (C)
    • 资助金额:
      $3.0万
    • 财政年份:
      2008
    • 负责人:
      SATO Hirofumi
    • 依托单位:
    海外基金