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Derived FPMD GGA/PBE0 partial pairdistribution functions í µí± í µí± í ...
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(color). Results of FPMD synthesis for Si 29 and Si 30 , compared with ...
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Fig. S8 Comparison of FPMD modeling with standard PBE and hybrid PBE0 ...
(Color) Comparison of the FPMD release path (green) to the RH (black ...
Evolution of the floating-point performance of various FPMD codes ...
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Typical snapshot of the FPMD simulation box, (29.014) 3 Å 3 , at 300 K ...
Setup of an FPMD simulation for assessing molecular friction between ...
Fractional Pair Coordination from FPMD model and APT analysis ...
Results of FPMD simulations of the Li 1+2x Ca x Zr 2Àx (PO 4 ) 3 ...
(a) Snapshots of different orientations obtained from a 16 ps FPMD ...
FPMD modeling results using the hybrid functional GGA/PBE0 in ...
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(a) Fluctuation of potential energy during 5000 fs FPMD simulation for ...
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Final structures of C i B 160 through 5 ps FPMD simulations at ...
Successive snapshots of a FPMD simulation showing the rolling motion of ...
Snapshots from the FPMD runs for Case (A) and Case (B) (see text). The ...
The fluctuation of total energy of Ti doped hBN monolayer during FPMD ...
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FPMD simulations of proton transfer in NZVO. (A) Frequency of VO-water ...
FPMD partial structure factors S ij (Q) for (a) glassy Ge 0.2 Te 0.8 at ...
Optimized Molecular Geometries for the FPMD Simulation (Length and ...
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Ge and Se atom subunits taken from an FPMD model of GeSe4, in which Ge ...
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