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The top documents tagged [dft calculation]
vasp
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RYDBERG ELECTRONS International Symposium on Molecular Spectroscopy 17 June 2008 Michael P. Minitti Brown University STEALTHY SPIES OF MOLECULAR STRUCTURE
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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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