2 papers
physics.comp-ph2008
Equilibrium Geometries, Reaction Pathways, and Electronic Structures of Ethanol Adsorbed on the Si (111) Surface
A. V. Gavrilenko, C. E. Bonner, V. I. Gavrilenko
Equilibrium atomic configurations and electron energy structure of ethanol adsorbed on the Si (111) surface are studied by the first-principles density functional theory. Geometry…
physics.chem-ph2008
Optical Absorption of Poly(thiophene vinylene) Conjugated Polymers. Experiment and First Principle Theory
A. V. Gavrilenko, T. D. Matos, C. E. Bonner +3
Optical absorption spectra of poly(thiophene vinylene) (PTV) conjugated polymers have been studied at room temperature in the spectral range of 450 to 800 nm. A dominant peak locat…