Water-Exchange Study Revealed Unexpected Substitution Behavior of [(CO)2(NO)Re(H2O)3]2+ in Aqueous Media
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During the prepn. of AsBr4+[Al(OR)4]-, the novel carbocation CS2Br3+ was synthesized by reaction of AsBr3, Br2, CS2, and Ag[Al(OR)4] (R=C(CF3)3). CS2Br3+ [Al(OR)4]- was characterized by its crystal structure, NMR and IR spectroscopy, and quantum chem. calc ...
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The novel fast-growth or multiple steering mol. dynamics (MSMD) technique has been recently developed by Jarzynski to calc. free energy profiles along general transformation pathways (Phys. Rev. Lett. 1997, 78, 2690-2693; Phys. Rev. E 1997, 56, 5018-5035). ...