Open AccessDFT/B3LYP Study of the Substituent Effects on the Reaction Enthalpies of the Antioxidant Mechanisms of Magnolol Derivatives in the Gas-Phase and Water
Author(s) -
Meysam Najafi,
Mohammad Najafi,
Hossein Najafi
Publication year - 2012
Publication title -
bulletin of the korean chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.237
H-Index - 59
eISSN - 1229-5949
pISSN - 0253-2964
DOI - 10.5012/bkcs.2012.33.11.3607
Subject(s) - chemistry , enthalpy , proton affinity , substituent , bond dissociation energy , electron affinity (data page) , hammett equation , standard enthalpy of formation , dissociation (chemistry) , homo/lumo , computational chemistry , ionization energy , polar effect , medicinal chemistry , thermodynamics , molecule , protonation , organic chemistry , reaction rate constant , ionization , kinetics , ion , physics , quantum mechanics