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A computational study of SF5-substituted carbocations
(Elsevier Science Sa, 2017-05)
The effect of the SF5 group as a substituent on various classes of carbocation was probed computationally employing DFT to examine geometrical changes, relative energies, and charge delocalization modes. Relative electron ...
Formation and dissociation kinetics of the FC(O)OOO(O)CF, FS(O2)OOO(O2)SF and FC(O)OOO(O2)SF trioxides. A theoretical study
(Elsevier, 2014-10)
A SACM/CT study of the FC(O)O + FC(O)OO -> FC(O)OOO(O)CF,
FS(O2)O + FS(O2)OO -> FS(O2)OOO(O2)SF,
FC(O)OO + FS(O2)O -> FC(O)OOO(O2)SF and
FC(O)O + FS(O2)OO -> FC(O)OOO(O2)SF recombination reactions and their reverse ...
Theoretical study of the molecular conformations, vibrational frequencies and thermochemistry of the FC(O)OOO(O)CF, FS(O2)OOO(O2)SF and FC(O)OOO(O2)SF trioxides
(Elsevier, 2013-01)
The molecular structures, conformational mobilities, harmonic vibrational frequencies and thermochemistry of the FC(O)OOO(O)CF, FS(O2)OOO(O2)SF and FC(O)OOO(O2)SF trioxides were studied by ab initio and density functional ...
SF-36 and the development of new assessment tools for quality of life
(Medfarma-edicoes Medicas, Lda, 2008-04-01)
The use of assessment tools for quality of life has allowed the incorporation of the views of patients in health decision-making. This article presents the characteristics and changes experienced by one of the most used ...