GAZOFAZNAYA KISLOTNOST' I OSNOVNOST' LINEYNYH ASSOCIATOV METANOLA
Abstract and keywords
Abstract (English):
By quantum-chemical B3LYP/6-311++G(df, p) method calculated gas-phase acidity and basicity of linear hydrogen-bonded complexes of methanol (monomer, dimer and trimer). The increase of the degree of association complexes of methanol leads to a sharp increase in both acidic and basic properties .

Keywords:
водородная связь, ассоциаты, газофазная кислотность, газофазная основность, hydrogen bond, cluster, gas-phase acidity, gas-phase basicity
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