Computational approaches for the prediction of pKa values / (Record no. 11426)
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| 000 -LEADER | |
|---|---|
| fixed length control field | 02502cam a2200409Ii 4500 |
| 001 - CONTROL NUMBER | |
| control field | CRC0KE16278PDF |
| 003 - CONTROL NUMBER IDENTIFIER | |
| control field | BD-DhSAU |
| 005 - DATE AND TIME OF LATEST TRANSACTION | |
| control field | 20151012144302.0 |
| 006 - FIXED-LENGTH DATA ELEMENTS--ADDITIONAL MATERIAL CHARACTERISTICS | |
| fixed length control field | m|||||o||d|||||||| |
| 007 - PHYSICAL DESCRIPTION FIXED FIELD--GENERAL INFORMATION | |
| fixed length control field | cr|||| |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION | |
| fixed length control field | 131227t20142014flua ob 001 0 eng d |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 9781466508804 (ebook : PDF) |
| 040 ## - CATALOGING SOURCE | |
| Original cataloging agency | BD-DhSAU |
| Language of cataloging | eng |
| Transcribing agency | BD-DhSAU |
| Description conventions | rda |
| 090 ## - LOCALLY ASSIGNED LC-TYPE CALL NUMBER (OCLC); LOCAL CALL NUMBER (OCLC) | |
| Classification number (OCLC) (R) ; Classification number, CALL (RLIN) (NR) | QD477 |
| Local cutter number (OCLC) ; Book number/undivided call number, CALL (RLIN) | .S54 2014 |
| 092 ## - LOCALLY ASSIGNED DEWEY CALL NUMBER (OCLC) | |
| Classification number | 546.24 |
| Item number | S555 |
| 100 1# - MAIN ENTRY--PERSONAL NAME | |
| Personal name | Shields, George C. |
| Fuller form of name | (George Charles), |
| Dates associated with a name | 1959- |
| Relator term | author. |
| 245 10 - TITLE STATEMENT | |
| Title | Computational approaches for the prediction of pKa values / |
| Statement of responsibility, etc. | George C. Shields, Paul G. Seybold. |
| 264 #1 - PRODUCTION, PUBLICATION, DISTRIBUTION, MANUFACTURE, AND COPYRIGHT NOTICE | |
| Place of production, publication, distribution, manufacture | Boca Raton : |
| Name of producer, publisher, distributor, manufacturer | CRC Press, |
| Date of production, publication, distribution, manufacture, or copyright notice | [2014] |
| 264 #4 - PRODUCTION, PUBLICATION, DISTRIBUTION, MANUFACTURE, AND COPYRIGHT NOTICE | |
| Date of production, publication, distribution, manufacture, or copyright notice | �2014 |
| 300 ## - PHYSICAL DESCRIPTION | |
| Extent | 1 online resource : |
| Other physical details | text file, PDF |
| 336 ## - CONTENT TYPE | |
| Content type term | text |
| Source | rdacontent |
| 337 ## - MEDIA TYPE | |
| Media type term | computer |
| Source | rdamedia |
| 338 ## - CARRIER TYPE | |
| Carrier type term | online resource |
| Source | rdacarrier |
| 490 1# - SERIES STATEMENT | |
| Series statement | QSAR in environmental and health sciences ; |
| Volume/sequential designation | 4 |
| 504 ## - BIBLIOGRAPHY, ETC. NOTE | |
| Bibliography, etc | Includes bibliographical references and index. |
| 505 0# - FORMATTED CONTENTS NOTE | |
| Formatted contents note | 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 ## - SUMMARY, ETC. | |
| Summary, etc. | "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"-- |
| Assigning source | Provided by publisher. |
| 530 ## - ADDITIONAL PHYSICAL FORM AVAILABLE NOTE | |
| Additional physical form available note | Also available in print format. |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | Acids |
| General subdivision | Basicity. |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | Dissociation. |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | Chemistry, Physical and theoretical. |
| 655 #7 - INDEX TERM--GENRE/FORM | |
| Genre/form data or focus term | Electronic books. |
| Source of term | lcsh |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Seybold, Paul G., |
| Relator term | author. |
| 776 08 - ADDITIONAL PHYSICAL FORM ENTRY | |
| Relationship information | Print version: |
| International Standard Book Number | 9781466508781 (hardback) |
| 830 #0 - SERIES ADDED ENTRY--UNIFORM TITLE | |
| Uniform title | QSAR in environmental and health sciences ; |
| Volume number/sequential designation | 4. |
| 856 40 - ELECTRONIC LOCATION AND ACCESS | |
| Uniform Resource Identifier | <a href="http://marc.crcnetbase.com/isbn/9781466508804">http://marc.crcnetbase.com/isbn/9781466508804</a> |
| Electronic format type | application/PDF |
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