Density Functional Theory : : Recent Advances, New Perspectives and Applications / / edited by Daniel Glossman-Mitnik.
Density Functional Theory (DFT) is a powerful technique for calculating and comprehending the molecular and electrical structure of atoms, molecules, clusters, and solids. Its use is based not only on the capacity to calculate the molecular characteristics of the species of interest but also on the...
Saved in:
| TeilnehmendeR: | |
|---|---|
| Place / Publishing House: | London : : IntechOpen,, 2022. ©2022 |
| Year of Publication: | 2022 |
| Language: | English |
| Physical Description: | 1 online resource (xiii, 330 pages) :; illustrations |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| LEADER | 01874nam a2200313 i 4500 | ||
|---|---|---|---|
| 001 | 993603762404498 | ||
| 005 | 20230704131006.0 | ||
| 006 | m o d | ||
| 007 | cr ||||||||||| | ||
| 008 | 230704s2022 enka ob 000 0 eng d | ||
| 035 | |a (CKB)5850000000050275 | ||
| 035 | |a (NjHacI)995850000000050275 | ||
| 035 | |a (EXLCZ)995850000000050275 | ||
| 040 | |a NjHacI |b eng |e rda |c NjHacl | ||
| 050 | 4 | |a QD462.6.D45 |b .D467 2022 | |
| 082 | 0 | 4 | |a 541.28 |2 23 |
| 245 | 0 | 0 | |a Density Functional Theory : |b Recent Advances, New Perspectives and Applications / |c edited by Daniel Glossman-Mitnik. |
| 246 | |a Density Functional Theory | ||
| 264 | 1 | |a London : |b IntechOpen, |c 2022. | |
| 264 | 4 | |c ©2022 | |
| 300 | |a 1 online resource (xiii, 330 pages) : |b illustrations | ||
| 336 | |a text |b txt |2 rdacontent | ||
| 337 | |a computer |b c |2 rdamedia | ||
| 338 | |a online resource |b cr |2 rdacarrier | ||
| 588 | |a Description based on publisher supplied metadata and other sources. | ||
| 520 | |a Density Functional Theory (DFT) is a powerful technique for calculating and comprehending the molecular and electrical structure of atoms, molecules, clusters, and solids. Its use is based not only on the capacity to calculate the molecular characteristics of the species of interest but also on the provision of interesting concepts that aid in a better understanding of the chemical reactivity of the systems under study. This book presents examples of recent advances, new perspectives, and applications of DFT for the understanding of chemical reactivity through descriptors forming the basis of Conceptual DFT 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, social, and industrial interest. | ||
| 504 | |a Includes bibliographical references. | ||
| 650 | 0 | |a Quantum chemistry. | |
| 650 | 0 | |a Density functionals. | |
| 776 | |z 1-83969-847-0 | ||
| 700 | 1 | |a Glossman-Mitnik, Daniel, |e editor. | |
| 906 | |a BOOK | ||
| ADM | |b 2023-07-08 12:17:44 Europe/Vienna |f system |c marc21 |a 2022-08-07 00:20:11 Europe/Vienna |g false | ||
| AVE | |i DOAB Directory of Open Access Books |P DOAB Directory of Open Access Books |x https://eu02.alma.exlibrisgroup.com/view/uresolver/43ACC_OEAW/openurl?u.ignore_date_coverage=true&portfolio_pid=5339200690004498&Force_direct=true |Z 5339200690004498 |b Available |8 5339200690004498 | ||