Density-Functional-Theory-Based Molecular Dynamics Study of 1,3,5-Trioxane and 1,3-Dioxolane Protolysis

• 1 December 1994
• journal article
• research article
• Published by American Chemical Society (ACS) in Journal of the American Chemical Society
• Vol. 116  (25) , 11251-11255
• https://doi.org/10.1021/ja00104a006

Abstract

Keywords

• DENSITY FUNCTION THEORY
• MOLECULAR DYNAMIC