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The water-mediated neutral hydrolysis mechanism of carbonyl sulfide (OCS) has been re-examined using the hybrid supramolecule/continuum models with n = 2-8 explicit water cluster at the level of MP2(fc)(CPCM)/6-311++G(d,p)//MP2(fc)(CPCM)/6-31+G(d). Present calculations indicate that the potential energy surface in water solution is different from the one in… (More)
In the title compound, C(18)H(19)NO(2), the five-membered ring of the indane fragment adopts an envelope conformation, with the unsubstituted C atom, acting as the flap atom, deviating by 0.412 (3) Å from the plane through the remaining four atoms. The dihedral angle between the nitro-phenyl ring and the indane benzene ring is 72.5 (1)°. The distances from… (More)
The title compound, C(5)H(9)O(4)PS, was synthesized by the reaction of penta-erythritol with thio-phosphoryl chloride. In the crystal structure, the three six-membered rings all adopt boat conformations. Mol-ecules form chains along the c axis via inter-molecular O-H⋯O hydrogen bonds.
The title compound, C(16)H(8)O(3), was synthesized by the Pd-coupling reaction of phenyl-acetyl-ene with 4-bromo-phthalic anhydride. The phenyl and isobenzofurane rings are nearly coplanar, forming a dihedral angle of 6.70 (10)°. In the crystal structure, centrosymmetrically related mol-ecules are linked into dimers by C-H⋯O hydrogen bonds.
In the title compound, C(18)H(19)NO(2), the five-membered ring of the indane fragment adopts an envelope conformation with the unsubstituted carbon atom at the flap displaced by 0.412 (3) Å from the plane formed by the other four atoms. The nitro group forms a dihedral angle of 5.3 (2)° with the indane benzene ring while the dihedral angle between the… (More)
Public service management is essentially about inter-administration cooperation in a competitive, continuously changing environment, which occurs frequently in the provision of service chain. The paper presents an inter-administration cooperation model and intelligent and cooperative information system which makes public service management efficient. It… (More)
In the mol-ecule of the title compound, C(21)H(18)O(9), the two aromatic rings are aligned at an angle of 49.7 (1)°.
The asymmetric unit of the title compound, C(22)H(22)O(4)S·2H(2)O, contains one quarter of the organic mol-ecule and one half water mol-ecule, the site symmetries of the S atom and the water O atom being mm2 and m, respectively. The dihedral angle between the benzene rings is 76.27 (11)°. In the crystal structure, inter-molecular O-H⋯O hydrogen bonds link… (More)
In the title compound, C(18)H(20), the five-membered ring of the indane fragment adopts an envelope conformation, with the flap atom deviating by 0.399 (3) Å from the plane of the remaining four atoms. The dihedral angle between the phenyl ring and the indane benzene ring is 79.58 (7)°.
The performance and feasibility of immobilization biological activated carbon (IBAC) were investigated to treat micro-pollutant water containing nitrobenzene. IBAC has been developed on the granular activated carbon by immobilization of selected and acclimated species of engineering bacteria to treat the micro-pollutant water containing nitrobenzene. The… (More)