Computational chemistry [4th. ed.] (Record no. 567377)
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| 000 -LEADER | |
|---|---|
| fixed length control field | 01842 a2200217 4500 |
| 003 - CONTROL NUMBER IDENTIFIER | |
| control field | OSt |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| ISBN | 9783031514425 |
| 040 ## - CATALOGING SOURCE | |
| Transcribing agency | IIT Kanpur |
| 041 ## - LANGUAGE CODE | |
| Language code of text/sound track or separate title | eng |
| 082 ## - DEWEY DECIMAL CLASSIFICATION NUMBER | |
| Classification number | 541.0113 |
| Item number | L58c4 |
| 100 ## - MAIN ENTRY--AUTHOR NAME | |
| Personal name | Lewars, Errol G. |
| 245 ## - TITLE STATEMENT | |
| Title | Computational chemistry [4th. ed.] |
| Remainder of title | introduction to the theory and applications of molecular and quantum mechanics |
| Statement of responsibility, etc | Errol G. Lewars |
| 250 ## - EDITION STATEMENT | |
| Edition statement | 4th. ed. |
| 260 ## - PUBLICATION, DISTRIBUTION, ETC. (IMPRINT) | |
| Name of publisher | Springer |
| Year of publication | 2024 |
| Place of publication | Switzerland |
| 300 ## - PHYSICAL DESCRIPTION | |
| Number of Pages | xvi, 749p |
| 520 ## - SUMMARY, ETC. | |
| Summary, etc | This is the fourth edition of the successful textbook on computational chemistry which continues to provide a comprehensive introduction to the theory and practice of computational chemistry. Notable updates include a review of references up to mid-2023, encompassing recent developments in scientific journals, books, and software. The evolving prominence of density functional theory (DFT) is emphasized, and attention is given to the increasing application of artificial intelligence in computational chemistry. The book maintains key features from the previous edition, delving into the mathematical intricacies of ab initio and density functional methods at an introductory level. Clear explanations of matrix methods are provided, offering a direct approach to obtaining energy levels and molecular orbitals. Additionally, each chapter includes sets of "Easier" and "Harder" drill questions, with suggested answers at the end of the book, enhancing the learning experience. The book is intended for upper-year undergraduate and graduate students studying computational and theoretical chemistry and for self-study by researchers in universities and industry to whom computational chemistry may be useful. |
| 650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical Term | Chemistry -- Data processing |
| 650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical Term | Chemistry, Physical and theoretical |
| 650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical Term | Computational chemistry |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) | |
| Koha item type | Books |
| Withdrawn status | Lost status | Damaged status | Not for loan | Collection code | Home library | Current library | Date acquired | Source of acquisition | Cost, normal purchase price | Full call number | Accession Number | Cost, replacement price | Koha item type |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TEXT | PK Kelkar Library, IIT Kanpur | PK Kelkar Library, IIT Kanpur | 09/12/2024 | 2 | 8687.56 | 541.0113 L58c4 | A186676 | 11583.41 | Text Books |