Browsing Öksüz Yayınlar Koleksiyonu - WoS by Subject "Ab initio calculations"
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DFT and statistical mechanics entropy calculations of diatomic and polyatomic molecules
(NATL INST SCIENCE COMMUNICATION-NISCAIR, 2010)Ab initio/DFT and statistical mechanics methods for calculation of entropy are,reported for 20 molecules in which internal rotations are absent, and are compared with the experimental values. Agreement between these data ... -
Effect of Alkyl Chain Length on Adsorption Behavior and Corrosion Inhibition of Imidazoline Inhibitors
(JIHAD DANESHGAHI, 2018)Inhibition performances of imidazoline derivatives with different alkyl chain length for carbon steel in H2S acid solutions has been studied by polarization curves, AC impedance measurements, current transient, Atomic Force ...