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The top documents tagged [dft calculation]
U Tor Vergata Charge transport in molecular devices Aldo Di Carlo, A. Pecchia, L. Latessa, M.Ghorghe* Dept. Electronic Eng. University of Rome “Tor Vergata”,
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A quantum Monte Carlo study of noncovalent interactions
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The Fast Fourier Transform
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How to optimize automatically the parameters that determine the quality of the basis Javier Junquera Alberto García
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vasp
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