Ab initio molecular dynamics of H2O adsorbed on solid MgO
- Walter Langel
- Michele Parrinello
- 1995
- The Journal of Chemical Physics
Paper
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954 results at The Journal of Chemical Physics
Quantum-state-specific dynamics of the dissociative adsorption and associative desorption of H2 at a Cu(111) surface
- C.T. Rettner
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- 1995
- The Journal of Chemical Physics
PaperLaser sputtering of highly oriented pyrolytic graphite at 248 nm
- Douglas J. Krajnovich
- 1995
- The Journal of Chemical Physics
PaperCollision dynamics for an asymmetric top rotor and a linear rotor: Coupled channel formalism and application to H2O-H2
- Timothy R. Phillips
- Sergio Maluendes
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- 1995
- The Journal of Chemical Physics
PaperIntegrating the Car-Parrinello equations. III. Techniques for ultrasoft pseudopotentials
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- Mark Tuckerman
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- 1995
- The Journal of Chemical Physics
PaperElectrostatic decoupling of periodic images of plane-wave-expanded densities and derived atomic point charges
- P.E. Blöchl
- 1995
- The Journal of Chemical Physics
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- A.C. Luntz
- 1995
- The Journal of Chemical Physics
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- D.D. Koleske
- S. Gates
- et al.
- 1995
- The Journal of Chemical Physics
PaperQuantum "melting" of orientationally ordered physisorbates
- D. Marx
- P. Nielaba
- 1995
- The Journal of Chemical Physics
PaperInfluence of surface topology and electrostatic potential on water/electrode systems
- J. Ilja Siepmann
- Michiel Sprik
- 1995
- The Journal of Chemical Physics
Paper