Structure and electronic spectra of neutral and protonated forms of anticonvulsant drug lamotrigine
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-019-4266-2
Abstract: In this work, the geometry, acid-base properties, pK a , electronic spectra, and fluorescence spectrum of anticonvulsant drug lamotrigine (LTG) are investigated with the DFT/TD-DFT method and PCM solvent model. Calculated transition with the B3LYP… read more here.
Keywords: anticonvulsant drug; drug lamotrigine; transition; electronic spectra ... See more keywords