Dimer-Monomer Equilibrium Constants for Acetic Acid and the Three Chloroacetic Acids in Benzene
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چکیده
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Monomer-dimer equilibrium constants of RNA in the dimer initiation site of human immunodeficiency virus type 1.
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Anharmonic vibrational calculations for the benzoic acid monomer and dimer in the mid-IR regime (500-1800 cm(-1)) are reported. Harmonic frequencies and intensities are obtained at the DFT/B3LYP level of theory employing D95(d,p) and cc-pVTZ basis sets. Anharmonic corrections obtained from standard perturbation theory lead to redshifts of 1%-3%. In almost all cases, the resulting frequencies de...
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ژورنال
عنوان ژورنال: Bulletin of the Chemical Society of Japan
سال: 1962
ISSN: 0009-2673,1348-0634
DOI: 10.1246/bcsj.35.132