화학공학소재연구정보센터
검색결과 : 2건
No. Article
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