Computational approaches for the prediction of pKa values / / George C. Shields, Paul G. Seybold.
"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...
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| Place / Publishing House: | Boca Raton : : CRC Press,, [2014] 2014 |
| Year of Publication: | 2014 |
| Language: | English |
| Series: | QSAR in environmental and health sciences ;
4 |
| Online Access: | |
| Physical Description: | 1 online resource (164 pages) :; illustrations. |
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| 006 | m o d | | ||
| 007 | cr cnu|||||||| | ||
| 008 | 130911t20142014flua ob 000 0 eng|d | ||
| 020 | |z 9781466508781 (hardback) | ||
| 020 | |a 9781466508804 (e-book) | ||
| 035 | |a (MiAaPQ)5001433361 | ||
| 035 | |a (Au-PeEL)EBL1433361 | ||
| 035 | |a (CaPaEBR)ebr10802499 | ||
| 035 | |a (CaONFJC)MIL544944 | ||
| 035 | |a (OCoLC)863821993 | ||
| 040 | |a MiAaPQ |b eng |e rda |e pn |c MiAaPQ |d MiAaPQ | ||
| 050 | 4 | |a QD477 |b .S54 2014 | |
| 082 | 0 | |a 546/.24 |2 23 | |
| 100 | 1 | |a Shields, George C. |q (George Charles), |d 1959- | |
| 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 (164 pages) : |b illustrations. | ||
| 336 | |a text |2 rdacontent | ||
| 337 | |a computer |2 rdamedia | ||
| 338 | |a online resource |2 rdacarrier | ||
| 440 | 0 | |a QSAR in environmental and health sciences ; |v 4 | |
| 504 | |a Includes bibliographical references. | ||
| 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. | ||
| 588 | |a Description based on print version record. | ||
| 590 | |a Electronic reproduction. Ann Arbor, MI : ProQuest, 2015. Available via World Wide Web. Access may be limited to ProQuest affiliated libraries. | ||
| 650 | 0 | |a Acids |x Basicity. | |
| 650 | 0 | |a Dissociation. | |
| 650 | 0 | |a Chemistry, Physical and theoretical. | |
| 655 | 4 | |a Electronic books. | |
| 700 | 1 | |a Seybold, Paul G. | |
| 776 | 0 | 8 | |i Print version: |a Shields, George C. |t Computational approaches for the prediction of pKa values. |d Boca Raton : CRC Press, [2014] |h xx, 142 pages |k QSAR in environmental and health sciences ; 4 |z 9781466508781 |w (DLC)17882490 |
| 797 | 2 | |a ProQuest (Firm) | |
| 856 | 4 | 0 | |u https://ebookcentral.proquest.com/lib/oeawat/detail.action?docID=1433361 |z Click to View |