In: Dyes and Pigments, 2012, vol. 92, no. 1, p. 714–723
The reliability in the description of the tautomerism of 1-phenylazo-4-naphthol by using of HF and MP2 ab initio levels of theory and DFT methods with variety of pure GGA (OLYP), hybrid (B3LYP and B3PW91), long range corrected (LC-BLYP) and double-hybrid (B2PLYP and mPW2PLYP) functionals with large number of basis sets was estimated. In this evaluation three criteria were used: reproduction...
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In: Zeitschrift für anorganische und allgemeine Chemie, 2011, vol. 637, no. 14-15, p. 2089–2092
New crystalline mercury halide adducts with polyetheras ligands were isolated, characterized, and identified as trans-[HgIICl₂(diox)₂]n (1) and trans-[HgIII₂(diox)]n (2). The compounds were obtained from the metal halide salts in solution of 1,4-dioxane and can be considered as “cutting-out”...
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