transition state


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transition state

In a chemical reaction, the unstable structures and energies of the reactants that result from the weakening of chemical bonds and separation of atoms before they recombine as new compounds.
References in periodicals archive ?
As for the [k.sub.2] step, we optimized the transition state of the k3 (k4) step (called [TS.sub.k3(k4)]; Fig 4).
Discovering a transition state among the alert and the drowsy states can play an important role to adjust the sensitivity of driver drowsiness detection methods.
By further decreasing the reaction coordinate, [Si.sub.5][O.sub.15][H.sub.12] cluster transforms spontaneously into the ODC(II) configuration and the computed relaxation energy is 0.30 eV lower than the transition state of [Si.sub.5][O.sub.15][H.sub.12] cluster model.
IM1 and IM2 can transform mutually through a four-membered ring transition state TS5 (-6.1kcal/mol).
The problem addressed in this study is to identify and characterize the critical transition state (CTS) point in MFD using field data.
Keywords: oil shale pyrolysis, organic nitrogen, thermochemical conversion, quantum chemistry, transition state theory.
Reaction mixture, B: O in stoichiometry 1: 1 for copolymerization and pure 'B' and 'O' solutions for homo-polymerization were treated with laser in order to study the reaction path based on transition state stabilities.
According to the transition state theory, the transition
M2 PHARMA-October 10, 2016-Nexus BioPharma to license TransChem's transition state chemistry technology for kinase inhibition
M2 EQUITYBITES-October 10, 2016-Nexus BioPharma to license TransChem's transition state chemistry technology for kinase inhibition
The condition exp [MATHEMATICAL EXPRESSION NOT REPRODUCIBLE IN ASCII] describes the motion of the system between the moments of times t and [t.sub.0] with zero stimulating effect, and this fact leads to a transition state matrix [PHI](t, [t.sub.0]) [4], so
This breakdown, with unexpectedly low vibrational frequencies, is the key feature marking the transition state, study coauthor Robert Field of MIT says.

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