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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...
| Clasificación: | Libro Electrónico |
|---|---|
| Autores principales: | , |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Boca Raton :
CRC Press,
[2014]
|
| Colección: | QSAR in environmental and health sciences ;
4. |
| Temas: | |
| Acceso en línea: | Texto completo |
MARC
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|---|---|---|---|
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| 003 | OCoLC | ||
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| 020 | |z 1466508787 |q (hardback ; |q alk. paper) | ||
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| 082 | 0 | 4 | |a 546.2 |b 23 |
| 084 | |a SCI013040 |a SCI013050 |2 bisacsh | ||
| 049 | |a UAMI | ||
| 100 | 1 | |a Shields, George C. |q (George Charles), |d 1959- |e author. | |
| 245 | 1 | 0 | |a Computational approaches for the prediction of pKa values / |c George C. Shields, Paul G. Seybold. |
| 264 | 1 | |a Boca Raton : |b CRC Press, |c [2014] | |
| 264 | 4 | |c ©2014 | |
| 300 | |a 1 online resource : |b text file, PDF | ||
| 336 | |a text |b txt |2 rdacontent | ||
| 337 | |a computer |b c |2 rdamedia | ||
| 338 | |a online resource |b cr |2 rdacarrier | ||
| 490 | 1 | |a QSAR in environmental and health sciences ; |v 4 | |
| 504 | |a Includes bibliographical references and index. | ||
| 505 | 0 | |a 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. | |
| 520 | |a "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 effect on how the species act, and it is important to be able to estimate which species will be present under different conditions. No other book summarizes how one can estimate the natures of the species present using modern theoretical methods. This book fills that need"-- |c Provided by publisher | ||
| 590 | |a ProQuest Ebook Central |b Ebook Central Academic Complete | ||
| 650 | 0 | |a Acids |x Basicity. | |
| 650 | 0 | |a Dissociation. | |
| 650 | 0 | |a Chemistry, Physical and theoretical. | |
| 650 | 2 | |a Chemistry, Physical | |
| 650 | 6 | |a Acides |x Basicité. | |
| 650 | 6 | |a Dissociation (Chimie) | |
| 650 | 6 | |a Chimie physique et théorique. | |
| 650 | 7 | |a physical chemistry. |2 aat | |
| 650 | 7 | |a SCIENCE |x Chemistry |x Inorganic. |2 bisacsh | |
| 650 | 7 | |a Acids |x Basicity |2 fast | |
| 650 | 7 | |a Chemistry, Physical and theoretical |2 fast | |
| 650 | 7 | |a Dissociation |2 fast | |
| 700 | 1 | |a Seybold, Paul G., |e author. | |
| 776 | 0 | 8 | |i Print version: |a Shields, George C. (George Charles), 1959- |t Computational approaches for the prediction of pKa values. |w (DLC) 2013036872 |
| 830 | 0 | |a QSAR in environmental and health sciences ; |v 4. | |
| 856 | 4 | 0 | |u https://ebookcentral.uam.elogim.com/lib/uam-ebooks/detail.action?docID=1433361 |z Texto completo |
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