TY - GEN AU - Ka,Being J AU - Thompson,Ward H TI - Sampling the proton transfer reaction coordinate in mixed quantum-classical molecular dynamics simulations SN - 1520-5215 PY - 2012///0507 KW - Amines KW - chemistry KW - Methyl Chloride KW - Molecular Dynamics Simulation KW - Phenols KW - Protons KW - Quantum Theory N1 - Publication Type: Journal Article; Research Support, U.S. Gov't, Non-P.H.S UR - https://doi.org/10.1021/jp206772e ER -