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The mechanisms for the hydrolysis of SiHCl3 to form HSi(OH)3 and the condensations of SiH3OH and HSi(OH)3 are studied by using ab initio electronic structure methods including electron correlation via second and fourth order perturbation theory and coupled cluster calculations. In the gas phase, the barrier heights for the hydrolysis and silanol condensation reactions are quite high, ranging from 20 to 30 kcal/mol. The barrier for the condensation of HSi(OH)3 is much smaller as a result of hydrogen bond stabilization of the transition state. Addition of just one extra water molecule is sufficient to reduce the calculated barriers to very small values or zero. Disciplines Chemistry CommentsReprinted (adapted) Ames, Iowa 50011-2030 ReceiVed March 20, 1998. ReVised Manuscript ReceiVed August 21, 1998 Abstract: The mechanisms for the hydrolysis of SiHCl 3 to form HSi(OH) 3 and the condensations of SiH 3 OH and HSi(OH) 3 are studied by using ab initio electronic structure methods including electron correlation via second and fourth order perturbation theory and coupled cluster calculations. In the gas phase, the barrier heights for the hydrolysis and silanol condensation reactions are quite high, ranging from 20 to 30 kcal/mol. The barrier for the condensation of HSi(OH) 3 is much smaller as a result of hydrogen bond stabilization of the transition state. Addition of just one extra water molecule is sufficient to reduce the calculated barriers to very small values or zero.

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These data suggest that, in Japan, the species distribution of Candida bloodstream infections and the fluconazole resistance rate are similar to those reported previously in North America and Europe. Voriconazole and micafungin appear to have strong in vitro activity against Candida blood isolates, although continuing surveillance and further clinical research are needed.