Referenced Items are not available for this document.
The challenges and problems involved in simulating condensed-phase dynamics, particularly for systems involving cleavage and formation of chemical bonds, are substantial. The authors describe two methods for simulating protonated liquid water and condensed-phase reaction dynamics, in which the commonly used multi-atom empirical force fields are inadequate.
Published in:
Computing in Science & Engineering
(Volume:5
,
Issue:
4
)
Date of Publication: July-Aug. 2003
- Page(s):
- 31 - 35
- ISSN :
- 1521-9615
- INSPEC Accession Number:
- 7681683
- Digital Object Identifier :
- 10.1109/MCISE.2003.1208639
- Date of Current Version :
- 09 July 2003
- Issue Date :
- July-Aug. 2003
- Sponsored by :
- American Institute of Physics
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