Electronic Structure Crystallography and Functional Motifs of Materials (Record no. 67197)
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| 000 -LEADER | |
|---|---|
| fixed length control field | 04152nam a22003974u 4500 |
| 001 - CONTROL NUMBER | |
| control field | 10.1002/9783527842339 |
| 003 - CONTROL NUMBER IDENTIFIER | |
| control field | Wiley |
| 005 - DATE AND TIME OF LATEST TRANSACTION | |
| control field | 20251030120316.0 |
| 007 - PHYSICAL DESCRIPTION FIXED FIELD--GENERAL INFORMATION | |
| fixed length control field | cr nn 008mam|a |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION | |
| fixed length control field | 240205t2024||||xxu fs| |0|| 0|eng|| |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 9783527842339 |
| Qualifying information | electronic |
| 024 7# - OTHER STANDARD IDENTIFIER | |
| Standard number or code | 10.1002/9783527842339 |
| Source of number or code | doi |
| 041 ## - LANGUAGE CODE | |
| Language code of text/sound track or separate title | eng |
| 100 1# - MAIN ENTRY--PERSONAL NAME | |
| Personal name | Guo, Guocong |
| Relator code | aut |
| 9 (RLIN) | 92055 |
| 245 10 - TITLE STATEMENT | |
| Title | Electronic Structure Crystallography and Functional Motifs of Materials |
| Medium | [electronic resource] |
| Statement of responsibility, etc. | Guocong Guo, Xiaoming Jiang |
| 250 ## - EDITION STATEMENT | |
| Edition statement | 1 |
| 260 ## - Date publicare | |
| Name of publisher, distributor, etc. | Wiley |
| Date of publication, distribution, etc. | 2024 |
| 264 #1 - PRODUCTION, PUBLICATION, DISTRIBUTION, MANUFACTURE, AND COPYRIGHT NOTICE | |
| Name of producer, publisher, distributor, manufacturer | Wiley |
| Date of production, publication, distribution, manufacture, or copyright notice | 2024 |
| 300 ## - PHYSICAL DESCRIPTION | |
| Extent | 240pp.; |
| 336 ## - CONTENT TYPE | |
| Content type term | text |
| Content type code | txt |
| Source | rdacontent |
| 337 ## - MEDIA TYPE | |
| Media type term | computer |
| Media type code | c |
| Source | rdamedia |
| 338 ## - CARRIER TYPE | |
| Carrier type term | online resource |
| Carrier type code | cr |
| Source | rdacarrier |
| 347 ## - DIGITAL FILE CHARACTERISTICS | |
| File type | text file |
| Source | rdaft |
| 347 ## - DIGITAL FILE CHARACTERISTICS | |
| Encoding format | |
| 520 ## - SUMMARY, ETC. | |
| Summary, etc. | Electronic Structure Crystallography and Functional Motifs of Materials Detailed resource on the method of electronic structure crystallography for revealing the experimental electronic structure and structure-property relationships of functional materials Electronic Structure Crystallography and Functional Motifs of Materials describes electronic structure crystallography and functional motifs of materials, two of the most challenging topics to realize the rational design of high-performance functional materials, emphasizing the physical properties and structure-property relationships of functional materials using nonlinear optical materials as examples. The text clearly illustrates how to extract experimental electronic structure information and relevant physicochemical properties of materials based on the theories and methods in X-ray crystallography and quantum chemistry. Practical skills of charge density studies using experimental X-ray sources are also covered, which are particularly important for the future popularization and development of electron structure crystallography. This book also introduces the related theories and refinement techniques involved in using scattering methods (mainly X-ray single-crystal diffraction, as well as polarized neutron scattering and Compton scattering) to determine experimental electronic structures, including the experimental electron density, experimental electron wavefunction, and experimental electron density matrix of crystalline materials. Electronic Structure Crystallography and Functional Motifs of Materials includes information on: Basic framework and assumptions of the first-principle calculations, density matrix and density function, and Hartree-Fock (HF) and Kohn-Sham (KS) methods Analysis of topological atoms in molecules, chemical interaction analysis, coarse graining and energy partition of the density matrix, and restricted space partition Principles of electronic structure measurement, including thermal vibration analysis, scattering experiments, and refinement algorithm for experimental electronic structure Independent atom model, multipole model, X-ray constrained wavefunction model, and other electron density models Electronic Structure Crystallography and Functional Motifs of Materials is an ideal textbook or reference book for graduate students and researchers in chemistry, physics, and material sciences for studying the structures and properties of functional crystalline materials. |
| 650 #4 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | |
| 650 #4 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | |
| 9 (RLIN) | 71081 |
| 650 #4 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | |
| 653 00 - INDEX TERM--UNCONTROLLED | |
| Uncontrolled term | nonlinear optical materials; photochromic materials; nano-catalytic materials; X-ray crystallography; quantum chemistry; Hartree-Fock method; Kohn-Sham method; Independent atom model; kappa model; multipole model; spin density model |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Jiang, Xiaoming |
| Relator code | aut |
| 9 (RLIN) | 92056 |
| 776 08 - ADDITIONAL PHYSICAL FORM ENTRY | |
| Relationship information | Printed edition: |
| International Standard Book Number | 9783527352203 |
| 856 40 - ELECTRONIC LOCATION AND ACCESS | |
| Uniform Resource Identifier | <a href="https://doi.org/10.1002/9783527842339">https://doi.org/10.1002/9783527842339</a> |
| Host name | Wiley Online Library |
| 856 40 - ELECTRONIC LOCATION AND ACCESS | |
| Uniform Resource Identifier | <a href="https://onlinelibrary.wiley.com/action/showBook?doi=10.1002%2F9783527842339">https://onlinelibrary.wiley.com/action/showBook?doi=10.1002%2F9783527842339</a> |
| Host name | Wiley Online Library |
| 856 42 - ELECTRONIC LOCATION AND ACCESS | |
| Materials specified | Cover Image |
| Uniform Resource Identifier | <a href="https://onlinelibrary.wiley.com/cms/asset/c7716010-b3d2-4122-8a8b-053302840efa/9783527842339.cover.gif">https://onlinelibrary.wiley.com/cms/asset/c7716010-b3d2-4122-8a8b-053302840efa/9783527842339.cover.gif</a> |
| Host name | Wiley Online Library |
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