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.
|ジャーナル||Journal of Chemical Physics|
|出版ステータス||Published - 2004 5月 15|
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