TY  - GEN
AU  - Gangarapu,Satesh
AU  - Marcelis,Antonius T M
AU  - Zuilhof,Han
TI  - Accurate pKa calculation of the conjugate acids of alkanolamines, alkaloids and nucleotide bases by quantum chemical methods
SN  - 1439-7641
PY  - 2013///0903
KW  - Alkaloids
KW  - chemistry
KW  - Amino Alcohols
KW  - Hydrogen-Ion Concentration
KW  - Models, Molecular
KW  - Neurotransmitter Agents
KW  - Nucleotides
KW  - Protons
KW  - Quantum Theory
KW  - Solvents
KW  - Thermodynamics
N1  - Publication Type: Journal Article; Research Support, Non-U.S. Gov't
UR  - https://doi.org/10.1002/cphc.201201085
ER  -