Implementing Reactivity in Molecular Dynamics Simulations with the Interface Force Field (IFF-R) and Other Harmonic Force Fields
Implementing Reactivity in Molecular Dynamics Simulations with the Interface Force Field (IFF-R) and Other Harmonic Force Fields
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发表时间：
2021-07
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通讯作者：
J. Winetrout;Krishan Kanhaiya;Geeta Sachdeva;R. Pandey;Behzad Damirchi;A. Duin;G. Odegard;H. Heinz
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作者：
J. Winetrout;Krishan Kanhaiya;Geeta Sachdeva;R. Pandey;Behzad Damirchi;A. Duin;G. Odegard;H. Heinz
1化学与生物工程系，科罗拉多大学博尔德分校，博尔德，CO 80309，美国2材料科学与工程系，科罗拉多大学博尔德分校，博尔德，CO 80309，美国3物理系，密歇根理工大学，霍顿，MI 49931，美国4机械工程系，宾夕法尼亚州立大学，大学公园，PA 16802，USA 5密歇根理工大学机械工程工程力学系，霍顿，MI 49931，USA
1 Department of Chemical and Biological Engineering, University of Colorado at Boulder, Boulder, CO 80309, USA 2 Materials Science and Engineering Program, University of Colorado at Boulder, Boulder, CO 80309, USA 3 Department of Physics, Michigan Technological University, Houghton, MI 49931, USA 4 Department of Mechanical Engineering, Pennsylvania State University, University Park, PA 16802, USA 5 Department of Mechanical Engineering Engineering Mechanics, Michigan Technological University, Houghton, MI 49931, USA