Molecular dynamics simulations for the prediction of the dielectric spectra of alcohols, glycols and monoethanolamine
作者： Javier Cardona , Rui Fartaria , Martin B. Sweatman , Leo Lue
DOI: 10.1080/08927022.2015.1055741
关键词: Work (thermodynamics) 、 Dipole 、 Moment (physics) 、 Microwave 、 Series (mathematics) 、 Analytical chemistry 、 Relaxation (physics) 、 Chemical physics 、 Electromagnetic radiation 、 Chemistry 、 Molecular dynamics
摘要: … spectra of water, a series of alcohols and glycols, and monoethanolamine. Although the force fields employed in this study have principally been developed to describe thermodynamic …
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