Quantum Crystallography:
Quantum crystallography (QCr) is a novel scientific discipline combining quantum chemistry methods and crystal structure determination. Written by leading experts in the field, this book describes original quantum-mechanical approaches to obtain crystallographic data of enhanced value and explains h...
Gespeichert in:
| 1. Verfasser: | |
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| Format: | Elektronisch E-Book |
| Sprache: | English |
| Veröffentlicht: |
Berlin ; Boston
De Gruyter
[2023]
|
| Schlagworte: | |
| Online-Zugang: | DE-1046 DE-1043 DE-858 DE-Aug4 DE-859 DE-860 DE-739 Volltext |
| Zusammenfassung: | Quantum crystallography (QCr) is a novel scientific discipline combining quantum chemistry methods and crystal structure determination. Written by leading experts in the field, this book describes original quantum-mechanical approaches to obtain crystallographic data of enhanced value and explains how they correlate with real diffraction and scattering experiments. In particular, the book covers quantum N-representability, Clinton equations, kernel energy method (KEM), and quantum theory of atoms in molecules (QTAIM) methods and their applications in crystallographic studies. Readers will be interested in the Foreword written by Nobel Laureate Ada Yonath and the Epilogue by noted science philosopher Olimpia Lombardi |
| Beschreibung: | Description based on online resource; title from PDF title page (publisher's Web site, viewed 01. Nov 2023) |
| Beschreibung: | 1 Online-Ressource (XVIII, 197 pages) |
| ISBN: | 9783110566673 |
| DOI: | 10.1515/9783110566673 |
Internformat
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| 500 | |a Description based on online resource; title from PDF title page (publisher's Web site, viewed 01. Nov 2023) | ||
| 520 | |a Quantum crystallography (QCr) is a novel scientific discipline combining quantum chemistry methods and crystal structure determination. Written by leading experts in the field, this book describes original quantum-mechanical approaches to obtain crystallographic data of enhanced value and explains how they correlate with real diffraction and scattering experiments. In particular, the book covers quantum N-representability, Clinton equations, kernel energy method (KEM), and quantum theory of atoms in molecules (QTAIM) methods and their applications in crystallographic studies. Readers will be interested in the Foreword written by Nobel Laureate Ada Yonath and the Epilogue by noted science philosopher Olimpia Lombardi | ||
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| 650 | 4 | |a Festkörperchemie | |
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| 650 | 4 | |a Quantenmechanik | |
| 650 | 4 | |a Crystallography | |
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Datensatz im Suchindex
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| author | Matta, Chérif |
| author_facet | Matta, Chérif |
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| author_sort | Matta, Chérif |
| author_variant | c m cm |
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| dewey-full | 548 |
| dewey-hundreds | 500 - Natural sciences and mathematics |
| dewey-ones | 548 - Crystallography |
| dewey-raw | 548 |
| dewey-search | 548 |
| dewey-sort | 3548 |
| dewey-tens | 540 - Chemistry and allied sciences |
| discipline | Chemie / Pharmazie |
| discipline_str_mv | Chemie / Pharmazie |
| doi_str_mv | 10.1515/9783110566673 |
| format | Electronic eBook |
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| id | DE-604.BV049469117 |
| illustrated | Not Illustrated |
| index_date | 2024-07-03T23:16:17Z |
| indexdate | 2024-07-20T04:03:10Z |
| institution | BVB |
| isbn | 9783110566673 |
| language | English |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-034814746 |
| oclc_num | 1414559307 |
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| owner_facet | DE-1043 DE-1046 DE-858 DE-Aug4 DE-859 DE-860 DE-739 |
| physical | 1 Online-Ressource (XVIII, 197 pages) |
| psigel | ZDB-23-DGG ZDB-23-DGG FAW_PDA_DGG ZDB-23-DGG FAB_PDA_DGG ZDB-23-DGG FCO_PDA_DGG ZDB-23-DGG FHA_PDA_DGG ZDB-23-DGG FKE_PDA_DGG ZDB-23-DGG FLA_PDA_DGG ZDB-23-DGG UPA_PDA_DGG |
| publishDate | 2023 |
| publishDateSearch | 2023 |
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| publisher | De Gruyter |
| record_format | marc |
| spelling | Matta, Chérif Verfasser aut Quantum Crystallography Chérif Matta, Louis Massa, Lulu Huang Berlin ; Boston De Gruyter [2023] © 2023 1 Online-Ressource (XVIII, 197 pages) txt rdacontent c rdamedia cr rdacarrier Description based on online resource; title from PDF title page (publisher's Web site, viewed 01. Nov 2023) Quantum crystallography (QCr) is a novel scientific discipline combining quantum chemistry methods and crystal structure determination. Written by leading experts in the field, this book describes original quantum-mechanical approaches to obtain crystallographic data of enhanced value and explains how they correlate with real diffraction and scattering experiments. In particular, the book covers quantum N-representability, Clinton equations, kernel energy method (KEM), and quantum theory of atoms in molecules (QTAIM) methods and their applications in crystallographic studies. Readers will be interested in the Foreword written by Nobel Laureate Ada Yonath and the Epilogue by noted science philosopher Olimpia Lombardi In English Festkörperchemie Kristallographie Quantenchemie Quantenmechanik Crystallography Quantum theory Huang, Lulu Sonstige oth Massa, Louis Sonstige oth Erscheint auch als Druck-Ausgabe 9783110565669 https://doi.org/10.1515/9783110566673 Verlag URL des Erstveröffentlichers Volltext |
| spellingShingle | Matta, Chérif Quantum Crystallography Festkörperchemie Kristallographie Quantenchemie Quantenmechanik Crystallography Quantum theory |
| title | Quantum Crystallography |
| title_auth | Quantum Crystallography |
| title_exact_search | Quantum Crystallography |
| title_exact_search_txtP | Quantum Crystallography |
| title_full | Quantum Crystallography Chérif Matta, Louis Massa, Lulu Huang |
| title_fullStr | Quantum Crystallography Chérif Matta, Louis Massa, Lulu Huang |
| title_full_unstemmed | Quantum Crystallography Chérif Matta, Louis Massa, Lulu Huang |
| title_short | Quantum Crystallography |
| title_sort | quantum crystallography |
| topic | Festkörperchemie Kristallographie Quantenchemie Quantenmechanik Crystallography Quantum theory |
| topic_facet | Festkörperchemie Kristallographie Quantenchemie Quantenmechanik Crystallography Quantum theory |
| url | https://doi.org/10.1515/9783110566673 |
| work_keys_str_mv | AT mattacherif quantumcrystallography AT huanglulu quantumcrystallography AT massalouis quantumcrystallography |