课题基金 / 基金详情

Theoretical and Computational Studies of Molecular Dynamics

Theoretical and Computational Studies of Molecular Dynamics
分子动力学的理论与计算研究
批准号:
0446527
负责人:
Joel Bowman
金额:
$0.0万
依托单位:
依托单位国家:
美国
项目类别:
Continuing Grant
财政年份:
2005
资助国家:
美国
项目状态:
已结题
起止时间:
2005-04-01 至 2009-03-31

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中文摘要
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英文摘要
Joel Bowman of Emory University is supported by the Theoretical and Computational Chemistry program to carry out research on the vibrational dynamics of several important molecular systems, including the hydrated proton and hydroxide ion. Another project involving the CH5+ species is being done in collaboration with Anne McCoy of Ohio State University. A thirdproject to study the delocalized states of the HCN molecule is being done in collaboration with Bob Field of MIT, whose group is carrying out experimental tests of Bowman's calculations. The work is having a broader impact on the fields of atmospheric chemistry and molecular biology.
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Theoretical & Computational Studies of Molecular Dynamics
  • 批准号:
    1463552
  • 项目类别:
    Continuing Grant
  • 资助金额:
    $48.62万
  • 财政年份:
    2015
  • 负责人:
    Joel Bowman
  • 依托单位:
Theoretical and Computational Studies of Molecular Dynamics
  • 批准号:
    1145227
  • 项目类别:
    Standard Grant
  • 资助金额:
    $45.0万
  • 财政年份:
    2012
  • 负责人:
    Joel Bowman
  • 依托单位:
Theoretical and Computational Studies of Molecular Dynamics
  • 批准号:
    0848233
  • 项目类别:
    Standard Grant
  • 资助金额:
    $40.0万
  • 财政年份:
    2009
  • 负责人:
    Joel Bowman
  • 依托单位:
Collaborative Research: Cyberinfrastructure and Research Facilities: Center for studying electronic structure and spectroscopy of open shell and electronically excited species
  • 批准号:
    0625237
  • 项目类别:
    Continuing Grant
  • 资助金额:
    $0.0万
  • 财政年份:
    2006
  • 负责人:
    Joel Bowman
  • 依托单位:
国内基金
海外基金
Computational Methods for Analyzing Toponome Data