Electronic structure modeling (Record no. 15034)
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| 000 -LEADER | |
|---|---|
| fixed length control field | 01785nam a2200313Ia 4500 |
| 001 - CONTROL NUMBER | |
| control field | CRC000E8406PDF |
| 003 - CONTROL NUMBER IDENTIFIER | |
| control field | FlBoTFG |
| 005 - DATE AND TIME OF LATEST TRANSACTION | |
| control field | 20171224123447.0 |
| 006 - FIXED-LENGTH DATA ELEMENTS--ADDITIONAL MATERIAL CHARACTERISTICS--GENERAL INFORMATION | |
| 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 | 080307s2008 flu sb 001 0 eng d |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 9780849384073 (ebook : PDF) |
| 040 ## - CATALOGING SOURCE | |
| Original cataloging agency | FlBoTFG |
| Transcribing agency | FlBoTFG |
| 090 ## - LOCALLY ASSIGNED LC-TYPE CALL NUMBER (OCLC); LOCAL CALL NUMBER (OCLC) | |
| Classification number (OCLC) (R) ; Classification number, CALL (RLIN) (NR) | QC176.8.E4 |
| Local cutter number (OCLC) ; Book number/undivided call number, CALL (RLIN) | T75 2008 |
| 092 ## - LOCALLY ASSIGNED DEWEY CALL NUMBER (OCLC) | |
| Classification number | 541.28 |
| Item number | T833 |
| 100 1# - MAIN ENTRY--PERSONAL NAME | |
| Personal name | Trindle, Carl. |
| 245 10 - TITLE STATEMENT | |
| Title | Electronic structure modeling |
| Medium | [electronic resource] : |
| Remainder of title | connections between theory and software / |
| Statement of responsibility, etc | Carl Trindle and Donald Shillady. |
| 260 ## - PUBLICATION, DISTRIBUTION, ETC. (IMPRINT) | |
| Place of publication, distribution, etc | Boca Raton, Fla. : |
| Name of publisher, distributor, etc | CRC Press, |
| Date of publication, distribution, etc | 2008. |
| 300 ## - PHYSICAL DESCRIPTION | |
| Extent | 504 p. |
| 504 ## - BIBLIOGRAPHY, ETC. NOTE | |
| Bibliography, etc | Includes bibliographical references and index. |
| 505 0# - FORMATTED CONTENTS NOTE | |
| Formatted contents note | One-dimensional quantum mechanics, a short review -- Matrices, representations, and electronic structure modeling -- Methods of approximation and the SCF method -- Gaussian lobe basis sets -- A very simple MO program -- Geometry optimization and vibrational frequencies by SCF -- Configuration interaction and potential curves -- Perturbation theory -- Highly accurate methods -- Modeling the Coulomb hole -- Density functional theory -- Calculation of nuclear magnetic resonance shielding/shifts -- The representation of electronically excited states -- Circular dichroism and optical rotatory dispersion. |
| 530 ## - ADDITIONAL PHYSICAL FORM AVAILABLE NOTE | |
| Additional physical form available note | Also available in print edition. |
| Availability source | CRC Press (http://www.crcpress.com) |
| 538 ## - SYSTEM DETAILS NOTE | |
| System details note | Mode of access: World Wide Web. |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | Electronic structure |
| General subdivision | Mathematical models. |
| 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 | Shillady, Donald. |
| 776 1# - ADDITIONAL PHYSICAL FORM ENTRY | |
| International Standard Book Number | 9780849384066 |
| 856 40 - ELECTRONIC LOCATION AND ACCESS | |
| Uniform Resource Identifier | <a href="http://marc.crcnetbase.com/isbn/9780849384073">http://marc.crcnetbase.com/isbn/9780849384073</a> |
| Electronic format type | application/PDF |
| Public note | Distributed by publisher. Purchase or institutional license may be required for access. |
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