13C NMR chemical shift calculations of charged surfactants in water — A combined density functional theory (DFT) and molecular dynamics (MD) methodological study

Author： Tsoneva Y.   Kevorkyants R.   Goursot A.  

Publisher： NRC Research Press

ISSN： 1480-3291

Source： Canadian Journal of Chemistry, Vol.91, Iss.7, 2013-02, pp. : 529-537

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