검색결과 : 9건
| No. | Article |
|---|---|
| 1 |
Prebiotic NH3 Formation: Insights from Simulations Stirling A, Rozgonyi T, Krack M, Bernasconi M Inorganic Chemistry, 55(4), 1934, 2016 |
| 2 |
Nanoparticle-loaded magnetophoretic vesicles Krack M, Hohenberg H, Kornowski A, Lindner P, Weller H, Forster S Journal of the American Chemical Society, 130(23), 7315, 2008 |
| 3 |
Density oscillations in a nanoscale water film on salt: Insight from ab initio molecular dynamics Liu L, Krack M, Michaelides A Journal of the American Chemical Society, 130(27), 8572, 2008 |
| 4 |
Simulating fluid-phase equilibria of water from first principles McGrath MJ, Siepmann JI, Kuo IFW, Mundy CJ, VandeVondele J, Hutter J, Mohamed F, Krack M Journal of Physical Chemistry A, 110(2), 640, 2006 |
| 5 |
Solvation states of HCl in mixed ether : acid crystals: A computational study Buch V, Mohamed F, Krack M, Sadlej J, Devlin JP, Parrinello M Journal of Chemical Physics, 121(24), 12135, 2004 |
| 6 |
Liquid water from first principles: Investigation of different sampling approaches Kuo IFW, Mundy CJ, McGrath MJ, Siepmann JI, VandeVondele J, Sprik M, Hutter J, Chen B, Klein ML, Mohamed F, Krack M, Parrinello M Journal of Physical Chemistry B, 108(34), 12990, 2004 |
| 7 |
Influence of outer-shell metal ligands on the structural and electronic properties of horse liver alcohol dehydrogenase zinc active site Gervasio FL, Schettino V, Mangani S, Krack M, Carloni P, Parrinello M Journal of Physical Chemistry B, 107(28), 6886, 2003 |
| 8 |
Ab initio x-ray scattering of liquid water Krack M, Gambirasio A, Parrinello M Journal of Chemical Physics, 117(20), 9409, 2002 |
| 9 |
An adaptive numerical integrator for molecular integrals Krack M, Koster AM Journal of Chemical Physics, 108(8), 3226, 1998 |