Prediction of pKa values for oligo-methacrylic acids using combined classical and quantum approaches

Journal of Physical Chemistry B

Volumn 113, Issue 39, 2009, Pages 12857-12859

  Dong, Haitao ^a   Du, Hongbo ^a   Qian, Xianghong ^a  

^a Engineering Research Center and Hydraulics Laboratory   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACIDS; BOLTZMANN EQUATION; DYNAMIC POSITIONING; ION EXCHANGE; ION EXCHANGE MEMBRANES; PERCOLATION (SOLID STATE); POISSON EQUATION; POLYMERIZATION;

ACID GROUPS; ATOMIC CHARGE; DEGREE OF POLYMERIZATION; DIELECTRIC MEDIUM; DISSOCIATING ACIDS; LOCAL ENVIRONMENTS; METHACRYLIC ACIDS; POISSON-BOLTZMANN EQUATIONS; POLYMERIC ACID; QUANTUM APPROACH; QUANTUM MECHANICAL;

POLYMERS;

METHACRYLIC ACID; METHACRYLIC ACID DERIVATIVE;

CATALYSIS; CHEMISTRY; KINETICS; LETTER; QUANTUM THEORY; THERMODYNAMICS;

CATALYSIS; KINETICS; METHACRYLATES; QUANTUM THEORY; THERMODYNAMICS;

EID: 70349487966     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9060889     Document Type: Article

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