Intramolecular hydrophobic association of two alkyl chains of

Nov 1, 1984 - Efficient Combination of Environment Change and Alchemical Perturbation within the Enveloping Distribution Sampling (EDS) Scheme: ...
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J. Phys. Chem. 1984,88, 5786-5790

5786

sential for efficient synthesis of AB. The formation of two maxima is conditioned by the fact that the thermal energies of the molecules ABC and AB C are usually close. Therefore, the total energy of the system AB C is higher than the energy of the initial substance by about the value of the energy DAB-c. Thus, the average energy of the molecular ensemble AB formed at thermal dissociation turns out to be much higher than in the case of laser dissociation. Indeed, even though the molecules AB are formed directly at the dissociation instant cold, Le., with energy close to - DAB