Abstract
The molecular dynamics (MD) simulations for a dilute aqueous solution of pyrimidine were discussed. The mechanisms of field-induced molecular alignment in a liquid phase were investigated. The effective forces induced by a nonresonant field on the basis of the average of the total potential over one optical cycle were derived. The results of MD simulations showed that a pyrimidine molecule was aligned in an aqueous solution by a linearly polarized field of wavelength λ = 800 nm.
Original language | English |
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Pages (from-to) | 9123-9132 |
Number of pages | 10 |
Journal | Journal of Chemical Physics |
Volume | 120 |
Issue number | 19 |
DOIs | |
Publication status | Published - 2004 May 15 |
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry