| 000 | 02502cam a2200409Ii 4500 | ||
|---|---|---|---|
| 001 | CRC0KE16278PDF | ||
| 003 | BD-DhSAU | ||
| 005 | 20151012144302.0 | ||
| 006 | m|||||o||d|||||||| | ||
| 007 | cr|||| | ||
| 008 | 131227t20142014flua ob 001 0 eng d | ||
| 020 | _a9781466508804 (ebook : PDF) | ||
| 040 |
_aBD-DhSAU _beng _cBD-DhSAU _erda |
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| 090 |
_aQD477 _b.S54 2014 |
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| 092 |
_a546.24 _bS555 |
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| 100 | 1 |
_aShields, George C. _q(George Charles), _d1959- _eauthor. |
|
| 245 | 1 | 0 |
_aComputational approaches for the prediction of pKa values / _cGeorge C. Shields, Paul G. Seybold. |
| 264 | 1 |
_aBoca Raton : _bCRC Press, _c[2014] |
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| 264 | 4 | _c�2014 | |
| 300 |
_a1 online resource : _btext file, PDF |
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| 336 |
_atext _2rdacontent |
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| 337 |
_acomputer _2rdamedia |
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| 338 |
_aonline resource _2rdacarrier |
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| 490 | 1 |
_aQSAR in environmental and health sciences ; _v4 |
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| 504 | _aIncludes bibliographical references and index. | ||
| 505 | 0 | _achapter 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"-- _cProvided by publisher. |
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| 530 | _aAlso available in print format. | ||
| 650 | 0 |
_aAcids _xBasicity. |
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| 650 | 0 | _aDissociation. | |
| 650 | 0 | _aChemistry, Physical and theoretical. | |
| 655 | 7 |
_aElectronic books. _2lcsh |
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| 700 | 1 |
_aSeybold, Paul G., _eauthor. |
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| 776 | 0 | 8 |
_iPrint version: _z9781466508781 (hardback) |
| 830 | 0 |
_aQSAR in environmental and health sciences ; _v4. |
|
| 856 | 4 | 0 |
_uhttp://marc.crcnetbase.com/isbn/9781466508804 _qapplication/PDF |
| 999 |
_c11426 _d11425 |
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