Ab initio molecular dynamics calculations to study catalysis
- K. Schwarz
- E. Nusterer
- et al.
- 1997
- International Journal of Quantum Chemistry
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56 results at International Journal of Quantum Chemistry
Static and dynamic density functional investigation of hydrated beryllium dications
- D. Marx
- E.S. Fois
- et al.
- 1996
- International Journal of Quantum Chemistry
Correlated polarization propagator calculations of static polarizabilities
- Stephan P. A. Sauer
- Jens Oddershede
- 1994
- International Journal of Quantum Chemistry
Electron scattering mechanisms in giant magnetoresistance computed by the LACO full‐potential method
- R.K. Nesbet
- 1994
- International Journal of Quantum Chemistry
Molecular dynamics simulations of n‐Alkane melts confined between solid surfaces
- Roland G. Winkler
- Anja Gerstmair
- et al.
- 1994
- International Journal of Quantum Chemistry
Application of thin films method in the study of alkali–semiconductor interaction
- Inder P. Batra
- 1992
- International Journal of Quantum Chemistry