Lu, Haiting

First-principles calculation of pKa for cocaine, nicotine, neurotransmitters, and anilines in aqueous solution. [electronic resource] - The journal of physical chemistry. B Sep 2007 - 10599-605 p. digital

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

1520-6106

10.1021/jp072917r doi


Aniline Compounds--chemistry
Cocaine--chemistry
Kinetics
Neurotransmitter Agents--chemistry
Nicotine--chemistry
Solutions
Static Electricity
Thermodynamics
Water--chemistry