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cond-mat.mtrl-sci2021
Ab initio molecular dynamics modelling of organic crystal electro-optical properties
Hovan Lee, Rui Hou, Ding Pan +2
Molecular dynamics calculations were preformed on organic crystals 4-N,N-dimethylamino-4'-N'-methyl-stilbazolium tosylate (DAST) and 4-N,N-dimethylamino-4'-N'-methylstilbazolium 2,…
physics.comp-ph2021★ 1 cited
Raman spectra of hydrocarbons under extreme conditions of pressure and temperature: a first-principles study
Rui Hou, Ding Pan
Hydrocarbons are of great importance in carbon-bearing fluids in deep Earth and in ice giant planets at extreme pressure (P)-temperature (T) conditions. Raman spectroscopy is a pow…