A combined Car-Parrinello QM/MM implementation for ab initio molecular dynamics simulations of extended systems: Application to transition metal catalysis
- Tom K. Woo
- Peter M. Margl
- et al.
- 1997
- Journal of Physical Chemistry B
Paper
Publications
14466 results for Physical Sciences
Triple point of Yukawa systems
- S. Hamaguchi
- R.T. Farouki
- et al.
- 1997
- Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics
PaperWorm structure in the modified Swift-Hohenberg equation for electroconvection
- Yuhai Tu
- 1997
- Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics
PaperScanning tunneling microscopy of individual molecules: Beyond imaging
- J.K. Gimzewski
- T.A. Jung
- et al.
- 1997
- Surface Science
PaperFundamental considerations in the manipulation of a single C60 molecule on a surface with an STM
- H. Tang
- M.T. Cuberes
- et al.
- 1997
- Surface Science
PaperFormation and characterization of self-assembled films of thiol-derivatized poly(dimethylsiloxane) on gold
- Mei-Wei Tsao
- Karl-Heinz Pfeifer
- et al.
- 1997
- Macromolecules
PaperMetastable excitons in quantum wells
- W.Y. Yu
- S. Stoltz
- et al.
- 1997
- Physical Review B - CMMP
PaperMagnetoresistance and magnetic properties of epitaxial magnetite thin films
- G.Q. Gong
- A. Gupta
- 1997
- Physical Review B - CMMP
PaperProgress in 193 nm photoresists
- R.D. Allen
- 1997
- Semiconductor International
PaperSpinodal decomposition during step-flow growth
- 1997
- Physical Review B - CMMP
Paper