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    Ab-Initio Molecular Dynamics Simulation of the Electrolysis of Nucleobases

    Ab-Initio Molecular Dynamics Simulation of the Electrolysis of Nucleobases by Irmgard Frank, Ebrahim Nadimi

    Published 2021-08-01
    “…In the present study we use Car–Parrinello molecular dynamics to simulate the reaction of nucleobases under electrolytic conditions. …”
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    Article
  2. 2
    Ab-Initio Molecular Dynamics Simulation of Condensed-Phase Reactivity: The Electrolysis of Amino Acids and Peptides

    Ab-Initio Molecular Dynamics Simulation of Condensed-Phase Reactivity: The Electrolysis of Amino Acids and Peptides by Ali Kiakojouri, Ebrahim Nadimi, Irmgard Frank

    Published 2020-11-01
    “…In the present study, we use Car–Parrinello molecular dynamics to simulate the fastest reaction steps under such circumstances. …”
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    Article

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