검색결과 : 2건
No. | Article |
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1 |
Structures and vibrational frequencies of the quinones in Rb. sphaeroides derived by a combined density functional/molecular mechanics approach Nonella M, Mathias G, Eichinger M, Tavan P Journal of Physical Chemistry B, 107(1), 316, 2003 |
2 |
A hybrid method for solutes in complex solvents: Density functional theory combined with empirical force fields Eichinger M, Tavan P, Hutter J, Parrinello M Journal of Chemical Physics, 110(21), 10452, 1999 |