Browsing by Subject "Molecular Dynamics (MD)"
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FULL ANISOTROPIC MODEL FOR SIMULATING THE INFRARED REFLECTION ABSORPTION SPECTRA (IRRAS) OF SELF-ASSEMBLED MONOLAYERS (SAMS) FROM ALL-ATOM MOLECULAR DYNAMICS SIMULATIONS
(2020-05-29)It is important to understand the internal molecular structure of molecular monolayers because that determines the physical and chemical properties of their surface. Infrared spectroscopy is a powerful method to measure ...