Computational approaches for the prediction of pKa values /

"The book describes how one can calculate the acidities and basicities of chemicals (pKa is the dissociation constant). Many drugs, industrial chemicals, biochemicals and pollutants dissociate to form new species under different conditions. The nature of the species present has a profound effec...

Descripción completa

Detalles Bibliográficos
Clasificación:Libro Electrónico
Autores principales: Shields, George C. (George Charles), 1959- (Autor), Seybold, Paul G. (Autor)
Formato: Electrónico eBook
Idioma:Inglés
Publicado: Boca Raton : CRC Press, [2014]
Colección:QSAR in environmental and health sciences ; 4.
Temas:
Acids > Basicity.
Dissociation.
Chemistry, Physical and theoretical.
Chemistry, Physical
Acides > Basicité.
Dissociation (Chimie)
Chimie physique et théorique.
physical chemistry.
SCIENCE > Chemistry > Inorganic.
Acids > Basicity
Chemistry, Physical and theoretical
Dissociation
Acceso en línea:Texto completo
Tabla de Contenidos:
  • Chapter 1. Introduction
  • chapter 2. Absolute pKa calculations
  • chapter 3. Relative pKa calculations
  • chapter 4. Quantitative structure-acidity methods
  • chapter 5. Oxyacids and related compounds
  • chapter 6. Nitrogen acids
  • chapter 7. Additional types of acids
  • chapter 8. Acidities in nonaqueous solvents
  • chapter 9. Additional factors influencing acidity and basicity
  • chapter 10. Conclusions.

Ejemplares similares