Density Functional Theory / / edited by Daniel Glossman-Mitnik.
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...
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Place / Publishing House: | London, United Kingdom : : IntechOpen,, 2019. |
Year of Publication: | 2019 |
Language: | English |
Physical Description: | 1 online resource (166 pages) :; illustrations some color |
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(CKB)4970000000100421 (NjHacI)994970000000100421 (oapen)https://directory.doabooks.org/handle/20.500.12854/44740 (EXLCZ)994970000000100421 |
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Daniel Glossman-Mitnik auth Density Functional Theory / edited by Daniel Glossman-Mitnik. IntechOpen 2019 London, United Kingdom : IntechOpen, 2019. 1 online resource (166 pages) : illustrations some color text txt rdacontent computer c rdamedia online resource cr rdacarrier Description based on: online resource; title from PDF information screen (Intech, viewed October 17, 2022). Includes bibliographical references. 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. English Quantum chemistry Mathematics. Density functionals. Condensed Matter Physics Physical Sciences Engineering and Technology Material Science Nanotechnology and Nanomaterials 1-78985-167-X Glossman-Mitnik, Daniel, editor. |
language |
English |
format |
eBook |
author |
Daniel Glossman-Mitnik |
spellingShingle |
Daniel Glossman-Mitnik Density Functional Theory / |
author_facet |
Daniel Glossman-Mitnik Glossman-Mitnik, Daniel, |
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d g m dgm |
author2 |
Glossman-Mitnik, Daniel, |
author2_variant |
d g m dgm |
author2_role |
TeilnehmendeR |
author_sort |
Daniel Glossman-Mitnik |
title |
Density Functional Theory / |
title_full |
Density Functional Theory / edited by Daniel Glossman-Mitnik. |
title_fullStr |
Density Functional Theory / edited by Daniel Glossman-Mitnik. |
title_full_unstemmed |
Density Functional Theory / edited by Daniel Glossman-Mitnik. |
title_auth |
Density Functional Theory / |
title_new |
Density Functional Theory / |
title_sort |
density functional theory / |
publisher |
IntechOpen IntechOpen, |
publishDate |
2019 |
physical |
1 online resource (166 pages) : illustrations some color |
isbn |
1-83881-836-7 1-78985-168-8 1-78985-167-X |
callnumber-first |
Q - Science |
callnumber-subject |
QD - Chemistry |
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QD462 |
callnumber-sort |
QD 3462.6 D45 D467 42019 |
illustrated |
Illustrated |
dewey-hundreds |
500 - Science |
dewey-tens |
540 - Chemistry |
dewey-ones |
541 - Physical chemistry |
dewey-full |
541.28 |
dewey-sort |
3541.28 |
dewey-raw |
541.28 |
dewey-search |
541.28 |
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(CKB)4970000000100421 (NjHacI)994970000000100421 (oapen)https://directory.doabooks.org/handle/20.500.12854/44740 (EXLCZ)994970000000100421 |
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