Maurer, Patrick

A computational study of ultrafast acid dissociation and acid-base neutralization reactions. II. The relationship between the coordination state of solvent molecules and concerted versus sequential acid dissociation. [electronic resource] - The Journal of chemical physics Mar 2011 - 094505 p. digital

Publication Type: Journal Article; Research Support, Non-U.S. Gov't

1089-7690

10.1063/1.3554654 doi


Acids--chemistry
Hydrogen Bonding
Molecular Dynamics Simulation
Molecular Structure
Quantum Theory
Water--chemistry