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The vapour pressures of solids: anthracene, hydroquinone, and resorcinol

โœ Scribed by R Bender; V Bieling; G Maurer


Publisher
Elsevier Science
Year
1983
Tongue
English
Weight
511 KB
Volume
15
Category
Article
ISSN
0021-9614

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The various protonated forms of phenol (1), catechol (2), resorcinol (3), and hydroquinone (4) were explored by ab initio quantum chemical calculations at the MP2/6-31G(d) and B3LYP/6-31G(d) levels. Proton affinities (PA) of 1-4 were calculated by the combined G2(MP2,SVP) method, and their gas-phase