Conceptual density functional theory and its application in the chemical domain / (Record no. 70780)
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| 000 -LEADER | |
|---|---|
| fixed length control field | 04385nam a2200385Ii 4500 |
| 001 - CONTROL NUMBER | |
| control field | 9780203711392 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION | |
| fixed length control field | 180727s2018 oncab ob 001 0 eng d |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| ISBN | 9780203711392 |
| -- | (e-book : PDF) |
| 082 04 - CLASSIFICATION NUMBER | |
| Call Number | 541/.28 |
| 245 00 - TITLE STATEMENT | |
| Title | Conceptual density functional theory and its application in the chemical domain / |
| 250 ## - EDITION STATEMENT | |
| Edition statement | First edition. |
| 300 ## - PHYSICAL DESCRIPTION | |
| Number of Pages | 1 online resource (422 pages) : |
| 520 3# - SUMMARY, ETC. | |
| Summary, etc | In this book, new developments based on conceptual density functional theory (CDFT) and its applications in chemistry are discussed. It also includes discussion of some applications in corrosion and conductivity and synthesis studies based on CDFT. The electronic structure principles-such as the electronegativity equalization principle, the hardness equalization principle, the electrophilicity equalization principle, and the nucleophilicity equalization principle, along studies based on these electronic structure principles-are broadly explained.Conceptual Density Function Theory and Its Application in the Chemical Domain will be an appropriate guide for research students as well as the supervisors in PhD programs. It will also be valuable resource for inorganic chemists, physical chemists, and quantum chemists. The reviews, research articles, short communications, et cetera, covered by this book will be appreciated by theoreticians as well as experimentalists.In recent years some novel methodologies have been developed in the field of CDFT. These methodologies have been used to explore mutual relationships between the descriptors of CDFT, namely electronegativity, hardness, et cetera The mutual relationship between the electronegativity and the hardness depend on the electronic configuration of the neutral atomic species. The volume attempts to cover almost all such methodology. |
| 700 1# - AUTHOR 2 | |
| Author 2 | Islam, Nazmul, |
| 700 1# - AUTHOR 2 | |
| Author 2 | Kaya, Savaş, |
| 856 40 - ELECTRONIC LOCATION AND ACCESS | |
| Uniform Resource Identifier | https://www.taylorfrancis.com/books/9780203711392 |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) | |
| Koha item type | eBooks |
| 264 #1 - | |
| -- | Toronto ; |
| -- | New Jersey : |
| -- | Apple Academic Press, |
| -- | 2018. |
| 336 ## - | |
| -- | text |
| -- | rdacontent |
| 337 ## - | |
| -- | computer |
| -- | rdamedia |
| 338 ## - | |
| -- | online resource |
| -- | rdacarrier |
| 650 #7 - SUBJECT ADDED ENTRY--SUBJECT 1 | |
| -- | SCIENCE / Chemistry / Physical & Theoretical. |
| 650 #0 - SUBJECT ADDED ENTRY--SUBJECT 1 | |
| -- | Chemistry. |
| 650 #0 - SUBJECT ADDED ENTRY--SUBJECT 1 | |
| -- | Density functionals. |
| 650 #0 - SUBJECT ADDED ENTRY--SUBJECT 1 | |
| -- | Quantum chemistry. |
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