H-Atom abstraction by C-centered radicals from cyclic and...

H-Atom abstraction by C-centered radicals from cyclic and acyclic dipeptides. A theoretical and experimental study of reaction ratesElectronic supplementary information (ESI) available: Table S1: Compilation of rate constants (in units of dm3 mol?1 s?1 unless specified) used for the simulation. Table S2: Total energies, zero point corrections, experimental corrections, tunneling factors, temperature corrections to the enthalpies, entropies in the gas phase and the solution phase free energy corrections from the SCIPCM model for each species. Table S3: Number of enantiomers (n), relative energies and mole fractions in the gaseous phase and aqueous solution. See http://www.rsc.org/suppdata/cp/b3/b303223j/

Reid, Darren L., Armstrong, David A., Rauk, Arvi, Nese, Chandrasekhar, Nien Schuchmann, Man, Westhoff, Ursula, von Sonntag, Clemens
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Volume:
5
Year:
2003
Language:
english
Journal:
Physical Chemistry Chemical Physics
DOI:
10.1039/b303223j
File:
PDF, 353 KB
english, 2003
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