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The Dipole Moments of Catechol, Resorcinol and Hydroquinone 1

โœ Scribed by Lander, John J.; Svirbely, W. J.

Book ID
125960190
Publisher
American Chemical Society
Year
1945
Tongue
English
Weight
382 KB
Volume
67
Category
Article
ISSN
0002-7863

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โœ Guy Bouchoux; Dirk Defaye; Terrance McMahon; Alexander Likholyot; Otilia Mรณ; Man ๐Ÿ“‚ Article ๐Ÿ“… 2002 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 224 KB

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