Physical chemistry chemical physics : PCCP, 7(23), 3938-3942 (2005-12-07)
Equilibrium geometries and vibrational frequencies of the ground and some excited states of p-chlorotoluene were calculated by the complete active space self-consistent field (CASSCF) method. Multi-reference CASSCF second order perturbation theory (MSCASPT2) calculations were performed on the vertical excitation energies
Applied microbiology and biotechnology, 55(3), 321-325 (2001-05-09)
p-Cymene monooxygenase (CMO) from Pseudomonas putida F1 consists of a hydroxylase (CymA1) and a reductase component (CymA2) which initiate pcymene (p-isopropyltoluene) catabolism by oxidation of the methyl group to p-isopropylbenzyl alcohol (p-cumic alcohol). To study the possible diverse range of
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 79(5), 1747-1756 (2011-06-18)
The FT-IR and FT-Raman spectra of 2-bromo-4-chlorotoluene (2B4CT) molecule have been recorded in the region 4000-400 cm(-1) and 3500-50 cm(-1), respectively. Optimized geometrical structures, harmonic vibrational frequencies, intensities, reduced mass, force constants and depolarization ratio have been computed by the
Dalton transactions (Cambridge, England : 2003), (32)(32), 4220-4232 (2008-08-07)
3-Formylsalicylic acid (Hfsal), covalently bound to chloromethylated polystyrene (PS) and cross-linked with 5% divinylbenzene reacts with d,l-alanine and l-isoleucine to give the Schiff-base tridentate ligands PS-H(2)fsal-d,l-Ala and PS-H(2)fsal-l-Ile, respectively. These anchored ligands upon reaction with VOSO(4) and Cu(CH(3)COO)(2).H(2)O form the
Journal of toxicology and environmental health, 50(2), 159-172 (1997-02-07)
Treatment of rats with p-chlorotoluene (PCT, 1 g/kg, ip) resulted in peak PCT blood and lung concentrations at 4 h, which declined to very low levels at 12 h. The concentration of PCT in the liver attained its highest value
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