Ab initio investigation of nonlinear optical, electronic, and thermodynamic properties of BEDT-TTF molecule: doping with boron
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DOI: 10.1016/j.heliyon.2021.e07461
Abstract: In this study, the RHF, B3LYP and wB97XD methods with cc-pVDZ basis set have been used to investigate the influence of carbon atoms substitution with boron atoms on the non-linear optical, electronic, optoelectronic and thermodynamic… read more here.
Keywords: properties bedt; thermodynamic properties; optical electronic; bedt ttf ... See more keywords