Guo-wei Gao

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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(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)
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)
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)