| 1 |
Molecular dynamics simulations of the structures of alkane/hydroxylated alpha-Al2O3(0001) interfaces
Jin RY, Song KY, Hase WL
Journal of Physical Chemistry B, 104(12), 2692, 2000 |
| 2 |
Molecular dynamics simulations of the solvation of coumarin 153 in a mixture of an alkane and an alcohol
Cichos F, Brown R, Rempel U, von Borczyskowski C
Journal of Physical Chemistry A, 103(15), 2506, 1999 |
| 3 |
Solvent effects on the barrier to C-N bond rotation in N,N-dimethylaminoacrylonitrile: Modeling by reaction field theory and by Monte Carlo simulations
Rablen PR, Pearlman SA, Miller DA
Journal of the American Chemical Society, 121(1), 227, 1999 |
| 4 |
Molecular dynamics simulation with the charge response kernel : Diffusion dynamics of pyrazine and pyrazinyl radical in methanol
Morita A, Kato S
Journal of Chemical Physics, 108(16), 6809, 1998 |
| 5 |
Molecular dynamics simulation of methanol clusters
Zakharov VV, Brodskaya EN, Laaksonen A
Journal of Chemical Physics, 109(21), 9487, 1998 |
| 6 |
Nuclear magnetic resonance and molecular dynamics study of methanol up to the supercritical region
Asahi N, Nakamura Y
Journal of Chemical Physics, 109(22), 9879, 1998 |
| 7 |
Solvation and the excited-state tautomerization of 7-azaindole and 1-azacarbazole : Computer simulations in water and alcohol solvents
Mente S, Maroncelli M
Journal of Physical Chemistry A, 102(22), 3860, 1998 |
| 8 |
Structural investigation of solute-solute interactions in aqueous solutions of tertiary butanol
Bowron DT, Finney JL, Soper AK
Journal of Physical Chemistry B, 102(18), 3551, 1998 |
| 9 |
Molecular dynamics studies of the conformational preferences of a DNA double helix in water and an ethanol/water mixture : Theoretical considerations of the A double left right arrow B transition
Sprous D, Young MA, Beveridge DL
Journal of Physical Chemistry B, 102(23), 4658, 1998 |
| 10 |
Structure and thermodynamics of self-assembled monolayers on gold nanocrystallites
Luedtke WD, Landman U
Journal of Physical Chemistry B, 102(34), 6566, 1998 |
