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Absorption spectra of aiMD simulations at 300 K of 256 H2O are shown as ...
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The AIMD results of different interface phases calculated at 1073 K a ...
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The comparison of absorption coefficients calculated from AIMD …
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The absorption coefficients from AIMD for different densities and ...
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The absorption coefficients from AIMD for different d…
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The comparison of absorption coefficients c…
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Absorption spectra of aiMD simulations at 300 K of 2…
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Ratio and acid gas species for all AIMD trajectories in Eu, Tb, Y, and ...
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Fixing of the AIMDs on the circular plate…
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AIMD simulations of CO2 desorption from the Au(111) surface a,b ...
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Description of various structures used for AIMD calculations | Download ...
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Description of various structure…
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Infrared absorption spectra for gas-phase …
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Snapshots of AIMD simulations of the surf…
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7: Schematic representation of ASD-AIMD simulations [91]. An initial ...
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(a) AIMD results for the evolution of pot…
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(a) AIMD results for the evolution of potential energy per atom of the ...
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(a)-(c). The snapshots of the AIMD models for selected po…
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Results of a ground state AIMD simulation of the hydrogen transfer ...
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-AIMD simulations of the total energy and snapsho…
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