Assessing the Conformational Equilibrium of Carboxylic Acid via Quantum Mechanical and Molecular Dynamics Studies on Acetic Acid

Victoria T. Lim, Christopher I. Bayly, Laszlo Fusti-Molnar, David L. Mobley. Assessing the Conformational Equilibrium of Carboxylic Acid via Quantum Mechanical and Molecular Dynamics Studies on Acetic Acid. Journal of Chemical Information and Computer Sciences, 59(5):1957-1964, 2019. [doi]

Abstract

Abstract is missing.