Modelling of molecular properties (Record no. 8154)
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| 000 -LEADER | |
|---|---|
| fixed length control field | 01815nam a2200265Ia 4500 |
| 003 - CONTROL NUMBER IDENTIFIER | |
| control field | OSt |
| 005 - DATE AND TIME OF LATEST TRANSACTION | |
| control field | 20250717103154.0 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION | |
| fixed length control field | 220909b |||||||| |||| 00| 0 eng d |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 9783527330218 |
| 037 ## - SOURCE OF ACQUISITION | |
| Terms of availability | Textbook |
| 040 ## - CATALOGING SOURCE | |
| Original cataloging agency | CSL |
| Language of cataloging | eng |
| Transcribing agency | CSL |
| 041 ## - LANGUAGE CODE | |
| Language code of text/sound track or separate title | eng |
| 084 ## - COLON CLASSIFICATION NUMBER | |
| Classification number | E:218:(B) Q1;2 TE |
| Assigning agency | CSL |
| 245 #0 - TITLE STATEMENT | |
| Title | Modelling of molecular properties |
| 260 ## - PUBLICATION, DISTRIBUTION, ETC. | |
| Place of publication, distribution, etc. | Germany : |
| Name of publisher, distributor, etc. | Wiley, |
| Date of publication, distribution, etc. | 2011. |
| 300 ## - PHYSICAL DESCRIPTION | |
| Extent | xxv, 485p. |
| Other physical details | : ill. |
| 500 ## - GENERAL NOTE | |
| General note | Index 473-485p. |
| 520 ## - SUMMARY, ETC. | |
| Summary, etc. | Molecular modeling encompasses applied theoretical approaches and computational techniques to model structures and properties of molecular compounds and materials in order to predict and / or interpret their properties. The modeling covered in this book ranges from methods for small chemical to large biological molecules and materials. With its comprehensive coverage of important research fields in molecular and materials science, this is a must-have for all organic, inorganic and biochemists as well as materials scientists interested in applied theoretical and computational chemistry. The 28 chapters, written by an international group of experienced theoretically oriented chemists, are grouped into four parts: Theory and Concepts; Applications in Homogeneous Catalysis; Applications in Pharmaceutical and Biological Chemistry; and Applications in Main Group, Organic and Organometallic Chemistry. The various chapters include concept papers, tutorials, and research reports. |
| 650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name entry element | Dicopper catalysts |
| 9 (RLIN) | 815829 |
| 650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name entry element | Theoretical investigation |
| 9 (RLIN) | 815830 |
| 650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name entry element | Understanding NMR |
| 9 (RLIN) | 815828 |
| 700 ## - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Comba, Peter |
| Relator term | editor |
| 9 (RLIN) | 815831 |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) | |
| Classification part | E:218:(B) Q1;2 TE |
| Koha item type | Textbook |
| Source of classification or shelving scheme | Colon Classification (CC) |
| Suppress in OPAC | No |
| Withdrawn status | Lost status | Damaged status | Not for loan | Home library | Current library | Date acquired | Source of acquisition | Total Checkouts | Full call number | Barcode | Date last seen | Price effective from | Koha item type |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Central Science Library | Central Science Library | 2022-09-12 | 3940, 10/03/2015, Educational Book Agency (India) | E:218:(B) Q1;2 TE | SL1598036 | 2022-09-12 | 2022-09-12 | Textbook |