Three distinct procedures for obtaining the effective Gibbs energies of activation from computed a reaction involving multiple reactant-state (RS) and transition-state (TS) conformers are shown to be equivalent. If Boltzmann-weighted average RS TS evaluated, then energy contribution entropy mixing both must also included in order obtain correct value activation. Application solvolytic 4,4′-dime...

An attempt has been made to assess the validity of applying the frictional and viscous coefficients of bulk water to the movement of water and solutes through the urinary bladder of the toad. The temperature dependence of diffusion of THO, C(14)-urea, C(14)-thiourea, and net water transfer across the bladder was determined in the presence and absence of vasopressin. The activation energy for di...

Issue no Total pages First page Last page File name Date req Artnum Cover date Abstract Conductance of nanoscale junctions consisting of a molecular monolayer in contact with different metal electrodes is studied. The characteristic energy scales of conductance are determined from the temperature dependence and from the non-linear current–voltage characteristics. Conductance measured at small b...