Browsing Makale Koleksiyonu by Subject "GABA"
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A computational study on relationship between quantum chemical parameters and reactivity of the zwitterionic GABA and its agonists: Solvent effect
(NATL INST SCIENCE COMMUNICATION-NISCAIR, 2017)The agonist activity of the title compounds on GABA(c) receptor as well as GABA uptake inhibition activity is reported. B3LYP/6-311++G(d,p) calculations have been performed to obtain the quantum chemical descriptors such ... -
DFT and Ab Initio Computational Study on the Reactivity Sites of the GABA and its Agonists, Such as CACA, TACA, DABA, and Muscimol: In the Gas Phase and Dielectric Media
(WILEY-BLACKWELL, 2011)The reactive behavior of GABA and its agonist molecules have been investigated using B3LYP hybrid density functional method at the 6-311++G** basis set level, in the gas phase and dielectric media. The calculations have ...