Density functional theory :: principles, applications and analysis /
Gespeichert in:
| Weitere Verfasser: | , |
|---|---|
| Format: | Elektronisch E-Book |
| Sprache: | English |
| Veröffentlicht: |
New York :
Nova Science Publishers, Inc.,
[2013]
|
| Schriftenreihe: | Physics research and technology
|
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Beschreibung: | 1 online resource. |
| Bibliographie: | Includes bibliographical references and index. |
| ISBN: | 9781624179556 162417955X |
Internformat
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| 245 | 0 | 0 | |a Density functional theory : |b principles, applications and analysis / |c Joseph Morin and Jean Marie Pelletier, editors. |
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| 300 | |a 1 online resource. | ||
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| 505 | 0 | |a Density functional treatment of interactions and chemical reactions at interfaces / José R.B. Gomes, José L.C. Fajín, M. Natália D.S. Cordeiro, Cátia Teixeira, Paula Gomes, Renjith S. Pillai,Gerard Novell-Leruth, Jordi Toda and Miguel Jorge -- Applications of density functional theory calculations to lithium carbenoids and magnesium carbenoids / Tsutomu Kimura -- On the prediction of thermoelectric properties of low-dimensional materials by density functional theory / P. Boulet and M.C. Record -- On the use of DFT computations to the radical scavenging activity studies of natural phenolic compounds / Nikolaos Nenadis and Maria Z. Tsimidou -- Polarizability of C60/C70fullerene [2+1]-and [1+1]-adducts : a DFT-prognosis / Denis Sh. Sabirov -- The application of density functional theory to calculation of properties of environmentally important speciesdi-and trimethylnaphthalenes / Bojana D. Ostojić and Dragana S. Đorđević -- Transport of organic materials from molecules to organic semiconductors / Kenji Hirose -- Modern density functional theory a useful tool for computational chemists / Reinaldo Pis Diez -- Alloy-based design of materials from first principles : an application to functional hard coatings / David Holec, Liangcai Zhou, Richard Rachbauerand Paul H. Mayrhofer -- Energy density functional theory in nuclear physics / Yoritaka Iwata and Joachim A. Maruhn. | |
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| contents | Density functional treatment of interactions and chemical reactions at interfaces / José R.B. Gomes, José L.C. Fajín, M. Natália D.S. Cordeiro, Cátia Teixeira, Paula Gomes, Renjith S. Pillai,Gerard Novell-Leruth, Jordi Toda and Miguel Jorge -- Applications of density functional theory calculations to lithium carbenoids and magnesium carbenoids / Tsutomu Kimura -- On the prediction of thermoelectric properties of low-dimensional materials by density functional theory / P. Boulet and M.C. Record -- On the use of DFT computations to the radical scavenging activity studies of natural phenolic compounds / Nikolaos Nenadis and Maria Z. Tsimidou -- Polarizability of C60/C70fullerene [2+1]-and [1+1]-adducts : a DFT-prognosis / Denis Sh. Sabirov -- The application of density functional theory to calculation of properties of environmentally important speciesdi-and trimethylnaphthalenes / Bojana D. Ostojić and Dragana S. Đorđević -- Transport of organic materials from molecules to organic semiconductors / Kenji Hirose -- Modern density functional theory a useful tool for computational chemists / Reinaldo Pis Diez -- Alloy-based design of materials from first principles : an application to functional hard coatings / David Holec, Liangcai Zhou, Richard Rachbauerand Paul H. Mayrhofer -- Energy density functional theory in nuclear physics / Yoritaka Iwata and Joachim A. Maruhn. |
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| dewey-ones | 541 - Physical chemistry |
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| dewey-search | 541/.28 |
| dewey-sort | 3541 228 |
| dewey-tens | 540 - Chemistry and allied sciences |
| discipline | Chemie / Pharmazie |
| format | Electronic eBook |
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| id | ZDB-4-EBA-ocn855955073 |
| illustrated | Not Illustrated |
| indexdate | 2024-11-27T13:25:29Z |
| institution | BVB |
| isbn | 9781624179556 162417955X |
| language | English |
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| spelling | Density functional theory : principles, applications and analysis / Joseph Morin and Jean Marie Pelletier, editors. New York : Nova Science Publishers, Inc., [2013] 1 online resource. text txt rdacontent computer c rdamedia online resource cr rdacarrier Physics research and technology Includes bibliographical references and index. Density functional treatment of interactions and chemical reactions at interfaces / José R.B. Gomes, José L.C. Fajín, M. Natália D.S. Cordeiro, Cátia Teixeira, Paula Gomes, Renjith S. Pillai,Gerard Novell-Leruth, Jordi Toda and Miguel Jorge -- Applications of density functional theory calculations to lithium carbenoids and magnesium carbenoids / Tsutomu Kimura -- On the prediction of thermoelectric properties of low-dimensional materials by density functional theory / P. Boulet and M.C. Record -- On the use of DFT computations to the radical scavenging activity studies of natural phenolic compounds / Nikolaos Nenadis and Maria Z. Tsimidou -- Polarizability of C60/C70fullerene [2+1]-and [1+1]-adducts : a DFT-prognosis / Denis Sh. Sabirov -- The application of density functional theory to calculation of properties of environmentally important speciesdi-and trimethylnaphthalenes / Bojana D. Ostojić and Dragana S. Đorđević -- Transport of organic materials from molecules to organic semiconductors / Kenji Hirose -- Modern density functional theory a useful tool for computational chemists / Reinaldo Pis Diez -- Alloy-based design of materials from first principles : an application to functional hard coatings / David Holec, Liangcai Zhou, Richard Rachbauerand Paul H. Mayrhofer -- Energy density functional theory in nuclear physics / Yoritaka Iwata and Joachim A. Maruhn. Description based on print version record. Density functionals. http://id.loc.gov/authorities/subjects/sh85036851 Fonctionnelles densité. SCIENCE Chemistry Physical & Theoretical. bisacsh Density functionals fast Morin, Joseph, 1969- editor. http://id.loc.gov/authorities/names/n2013017242 Pelletier, Jean Marie, 1972- editor. http://id.loc.gov/authorities/names/n2013017243 has work: Density functional theory (Text) https://id.oclc.org/worldcat/entity/E39PCG7kR8M4Wdbd4YrygHkTDy https://id.oclc.org/worldcat/ontology/hasWork Print version: Density functional theory New York : Nova Science Publishers, Inc., [2013] 9781624179549 (hardcover) (DLC) 2012051682 FWS01 ZDB-4-EBA FWS_PDA_EBA https://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&AN=620154 Volltext |
| spellingShingle | Density functional theory : principles, applications and analysis / Density functional treatment of interactions and chemical reactions at interfaces / José R.B. Gomes, José L.C. Fajín, M. Natália D.S. Cordeiro, Cátia Teixeira, Paula Gomes, Renjith S. Pillai,Gerard Novell-Leruth, Jordi Toda and Miguel Jorge -- Applications of density functional theory calculations to lithium carbenoids and magnesium carbenoids / Tsutomu Kimura -- On the prediction of thermoelectric properties of low-dimensional materials by density functional theory / P. Boulet and M.C. Record -- On the use of DFT computations to the radical scavenging activity studies of natural phenolic compounds / Nikolaos Nenadis and Maria Z. Tsimidou -- Polarizability of C60/C70fullerene [2+1]-and [1+1]-adducts : a DFT-prognosis / Denis Sh. Sabirov -- The application of density functional theory to calculation of properties of environmentally important speciesdi-and trimethylnaphthalenes / Bojana D. Ostojić and Dragana S. Đorđević -- Transport of organic materials from molecules to organic semiconductors / Kenji Hirose -- Modern density functional theory a useful tool for computational chemists / Reinaldo Pis Diez -- Alloy-based design of materials from first principles : an application to functional hard coatings / David Holec, Liangcai Zhou, Richard Rachbauerand Paul H. Mayrhofer -- Energy density functional theory in nuclear physics / Yoritaka Iwata and Joachim A. Maruhn. Density functionals. http://id.loc.gov/authorities/subjects/sh85036851 Fonctionnelles densité. SCIENCE Chemistry Physical & Theoretical. bisacsh Density functionals fast |
| subject_GND | http://id.loc.gov/authorities/subjects/sh85036851 |
| title | Density functional theory : principles, applications and analysis / |
| title_auth | Density functional theory : principles, applications and analysis / |
| title_exact_search | Density functional theory : principles, applications and analysis / |
| title_full | Density functional theory : principles, applications and analysis / Joseph Morin and Jean Marie Pelletier, editors. |
| title_fullStr | Density functional theory : principles, applications and analysis / Joseph Morin and Jean Marie Pelletier, editors. |
| title_full_unstemmed | Density functional theory : principles, applications and analysis / Joseph Morin and Jean Marie Pelletier, editors. |
| title_short | Density functional theory : |
| title_sort | density functional theory principles applications and analysis |
| title_sub | principles, applications and analysis / |
| topic | Density functionals. http://id.loc.gov/authorities/subjects/sh85036851 Fonctionnelles densité. SCIENCE Chemistry Physical & Theoretical. bisacsh Density functionals fast |
| topic_facet | Density functionals. Fonctionnelles densité. SCIENCE Chemistry Physical & Theoretical. Density functionals |
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