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A PHYSICAL CHEMIST'S GUIDE TO APPLIED COMPUTATIONAL CHEMISTRY: PRACTICAL CALCULATION OF POLYPROTIC ACID PKA VALUES, MERCURY HALIDES, THIOLS, AND METHYLMERCURY ANALOGUES' STABILITIES AND STRUCTURES, AND RAMAN SPECTRA OF MYO-INOSITOL HEXAKIS PHOSPHATE.
(2010)
In this thesis, we present both ab-initio investigation of the series of compounds HgClxy and the charges of each system running x=(0,1,2,3,4) and y=(+2,+1,0,-1,-2).
We investigate the energies of formation using Gaussian ...
AEROBIC OXIDATION OF CIS-2-BUTENE AND 2-BUTYNE IN WATER MEDIATED BY (DPMS)PtII (DPMS = DI(2-PYRIDYL) METHANE SULFONATE)
(2010)
(dpms)Pt<super>II</super> hydroxo ethylene complex <bold>(2.1)</bold> undergoes ligand substitution--intramolecular hydroxo platination with 2-butyne in water to give Pt<super>II</super> η<super>1<super/>-ketonyl ...