Ab initio molecular dynamics study of the reaction of water with formaldehyde in sulfuric acid solution
- Evert Jan Meijer
- Michiel Sprik
- 1998
- JACS
Publications
This is our catalog of publications authored by IBM researchers, in collaboration with the global research community. It’s an ever-growing body of work that shows why IBM is one of the most important contributors to modern computing.
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29 results for Michiel Sprik
Density functional theory-based molecular dynamics simulation of acid-catalyzed chemical reactions in liquid trioxane
- Alessandro Curioni
- Michiel Sprik
- et al.
- 1997
- JACS
Orientational ordering in solid C70: Predictions from computer simulation
- Michiel Sprik
- Ailan Cheng
- et al.
- 1992
- Physical Review Letters
Computer simulation of the dynamics of induced polarization fluctuations in water
- Michiel Sprik
- 2002
- Journal of Physical Chemistry
Key Steps of the cis-Platin-DNA Interaction: Density Functional Theory-Based Molecular Dynamics Simulations
- Paolo Carloni
- Michiel Sprik
- et al.
- 2000
- Journal of Physical Chemistry B
Conformational and orientational order and disorder in solid polytetrafluoroethylene
- M. Sprik
- U. RÖTHLISBERGER
- et al.
- 1999
- Molecular Physics
Free energy from constrained molecular dynamics
- Michiel Sprik
- Giovanni Ciccotti
- 1998
- Journal of Chemical Physics
A density functional study of the addition of water to SO3 in the gas phase and in aqueous solution
- Evert Jan Meijer
- Michiel Sprik
- 1998
- Journal of Physical Chemistry A
Ab initio molecular dynamics of ion solvation. The case of Be2+ in water
- Dominik Marx
- Michiel Sprik
- et al.
- 1997
- Chemical Physics Letters
Structure of solid poly(tetrafluoroethylene): A computer simulation study of chain orientational, translational, and conformational disorder
- Michiel Sprik
- Ursula Röthlisberger
- et al.
- 1997
- Journal of Physical Chemistry B