Molecular dynamics with molecular temperature Academic Article

abstract

• A modeling and computation technique was developed to facilitate the molecular dynamics simulations of complex systems. The notion of an internal molecular temperature was introduced to describe the storage of energy within the molecules. The model allowed the incorporation of quantum statistical phenomena of the internal interactions satisfying the irreversibility of collision processes. The model was applied to the laser ablation of a two-dimensional submicrometer chlorobenzene particles.

authors

• Srinivasa, Arun

published proceedings

• JOURNAL OF PHYSICAL CHEMISTRY A

author list (cited authors)

• Phares, D. J., & Srinivasa, A. R.

citation count

• 13

complete list of authors

• Phares, DJ||Srinivasa, AR

publication date

• July 2004

publisher

• American Chemical Society (ACS)  Publisher

keywords

• 34 Chemical Sciences
• 3406 Physical Chemistry
• 3407 Theoretical And Computational Chemistry

Digital Object Identifier (DOI)

• 10.1021/jp037910y

start page

• 6100

end page

• 6108

volume

• 108

issue

• 29

URL

• http://dx.doi.org/10.1021/jp037910y