Density Functional Theory (Record no. 47250)
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| 000 -LEADER | |
|---|---|
| fixed length control field | 01996naaaa2200313uu 4500 |
| 001 - CONTROL NUMBER | |
| control field | https://directory.doabooks.org/handle/20.500.12854/44740 |
| 005 - DATE AND TIME OF LATEST TRANSACTION | |
| control field | 20220219221353.0 |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | intechopen.76822 |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 9781789851687 |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 9781789851670 |
| 024 7# - OTHER STANDARD IDENTIFIER | |
| Standard number or code | 10.5772/intechopen.76822 |
| Terms of availability | doi |
| 041 0# - LANGUAGE CODE | |
| Language code of text/sound track or separate title | English |
| 042 ## - AUTHENTICATION CODE | |
| Authentication code | dc |
| 100 1# - MAIN ENTRY--PERSONAL NAME | |
| Personal name | Daniel Glossman-Mitnik |
| Relationship | auth |
| 245 10 - TITLE STATEMENT | |
| Title | Density Functional Theory |
| 260 ## - PUBLICATION, DISTRIBUTION, ETC. | |
| Name of publisher, distributor, etc. | IntechOpen |
| Date of publication, distribution, etc. | 2019 |
| 300 ## - PHYSICAL DESCRIPTION | |
| Extent | 1 electronic resource (166 p.) |
| 506 0# - RESTRICTIONS ON ACCESS NOTE | |
| Terms governing access | Open Access |
| Source of term | star |
| Standardized terminology for access restriction | Unrestricted online access |
| 520 ## - SUMMARY, ETC. | |
| Summary, etc. | Density Functional Theory (or DFT for short) is a potent methodology useful for calculating and understanding the molecular and electronic structure of atoms, molecules, clusters, and solids. Its use relies not only in the ability to calculate the molecular properties of the species of interest but also provides interesting concepts that allow a better comprehension of the chemical reactivity of the studied systems. This book represents an attempt to present examples on the utility of DFT for the understanding of the chemical reactivity through descriptors that constitute the basis of the so called Conceptual DFT (sometimes also named as Chemical Reactivity Theory) as well as the application of the theory and its related computational procedures in the determination of the molecular properties of different systems of academic and industrial interest. |
| 540 ## - TERMS GOVERNING USE AND REPRODUCTION NOTE | |
| Terms governing use and reproduction | All rights reserved |
| -- | http://oapen.org/content/about-rights |
| 546 ## - LANGUAGE NOTE | |
| Language note | English |
| 653 ## - INDEX TERM--UNCONTROLLED | |
| Uncontrolled term | Condensed Matter Physics |
| 653 ## - INDEX TERM--UNCONTROLLED | |
| Uncontrolled term | Physical Sciences |
| 653 ## - INDEX TERM--UNCONTROLLED | |
| Uncontrolled term | Engineering and Technology |
| 653 ## - INDEX TERM--UNCONTROLLED | |
| Uncontrolled term | Material Science |
| 653 ## - INDEX TERM--UNCONTROLLED | |
| Uncontrolled term | Nanotechnology and Nanomaterials |
| 856 40 - ELECTRONIC LOCATION AND ACCESS | |
| Host name | www.oapen.org |
| Uniform Resource Identifier | <a href="https://www.intechopen.com/books/density-functional-theory">https://www.intechopen.com/books/density-functional-theory</a> |
| Access status | 0 |
| Public note | DOAB: download the publication |
| 856 40 - ELECTRONIC LOCATION AND ACCESS | |
| Host name | www.oapen.org |
| Uniform Resource Identifier | <a href="https://directory.doabooks.org/handle/20.500.12854/44740">https://directory.doabooks.org/handle/20.500.12854/44740</a> |
| Access status | 0 |
| Public note | DOAB: description of the publication |
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