Molecular dynamics simulations were carried out to study the conformational properties of branched alkanes (C 40 H 82 ). The populations of different isomeric conformers, cooperative transitions, and transition rates by analyzing a trajectory at 450 K in the gas phase were calculated. The results extracted from the molecular dynamics trajectory were mostly in very good agreement with the results for previously simulated n -alkanes.
No takes yet. Share an insight, caveat, or question.
Lahtela et al. (1997) studied this question.
Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context: