Quantum Crystallography / / Chérif Matta, Louis Massa, Lulu Huang.
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...
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Place / Publishing House: | Berlin ;, Boston : : De Gruyter, , [2023] ©2023 |
Year of Publication: | 2023 |
Language: | English |
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Physical Description: | 1 online resource (XVIII, 197 p.) |
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Matta, Chérif, author. aut http://id.loc.gov/vocabulary/relators/aut Quantum Crystallography / Chérif Matta, Louis Massa, Lulu Huang. Berlin ; Boston : De Gruyter, [2023] ©2023 1 online resource (XVIII, 197 p.) text txt rdacontent computer c rdamedia online resource cr rdacarrier text file PDF rda Frontmatter -- Acknowledgements -- Preface -- Foreword -- Contents -- About the authors -- Introduction -- Chapter 1 Some basic concepts of crystallography -- Chapter 2 Some basic concepts of quantum chemistry -- Chapter 3 Quantum crystallography: an introduction -- Chapter 4 Example applications of the Clinton equations -- Chapter 5 The kernel energy method: a computational approach to large systems -- Chapter 6 The kernel energy method: accurate and fast calculations on large systems by example -- Chapter 7 The quantum theory of atoms in molecules -- Chapter 8 The quantum theory of atoms in molecules and quantum crystallography: a symbiosis -- Chapter 9 The calculation of the energy -- Epilogue -- Appendix 1 Historical note: N-representability -- Appendix 2 Comments regarding new discussions of quantum crystallography -- Appendix 3 Publications on quantum crystallography by the authors -- Index restricted access http://purl.org/coar/access_right/c_16ec online access with authorization star 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. Issued also in print. Mode of access: Internet via World Wide Web. In English. Description based on online resource; title from PDF title page (publisher's Web site, viewed 06. Mrz 2024) Crystallography. Quantum theory. Festkörperchemie. Kristallographie. Quantenchemie. Quantenmechanik. Quantum Chemistry. Quantum Mechanics. Solid State Chemistry. Huang, Lulu, author. aut http://id.loc.gov/vocabulary/relators/aut Lombardi, Olimpia, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Massa, Louis, author. aut http://id.loc.gov/vocabulary/relators/aut Title is part of eBook package: De Gruyter DG Plus DeG Package 2023 Part 1 9783111175782 Title is part of eBook package: De Gruyter EBOOK PACKAGE COMPLETE 2023 English 9783111319292 Title is part of eBook package: De Gruyter EBOOK PACKAGE COMPLETE 2023 9783111318912 ZDB-23-DGG Title is part of eBook package: De Gruyter EBOOK PACKAGE Physics, Chemistry, Mat.Sc, Geosc 2023 English 9783111319230 Title is part of eBook package: De Gruyter EBOOK PACKAGE Physics, Chemistry, Mat.Sc, Geosc 2023 9783111318660 ZDB-23-DPC EPUB 9783110565713 print 9783110565669 https://doi.org/10.1515/9783110566673 https://www.degruyter.com/isbn/9783110566673 Cover https://www.degruyter.com/document/cover/isbn/9783110566673/original |
language |
English |
format |
eBook |
author |
Matta, Chérif, Matta, Chérif, Huang, Lulu, Massa, Louis, |
spellingShingle |
Matta, Chérif, Matta, Chérif, Huang, Lulu, Massa, Louis, Quantum Crystallography / Frontmatter -- Acknowledgements -- Preface -- Foreword -- Contents -- About the authors -- Introduction -- Chapter 1 Some basic concepts of crystallography -- Chapter 2 Some basic concepts of quantum chemistry -- Chapter 3 Quantum crystallography: an introduction -- Chapter 4 Example applications of the Clinton equations -- Chapter 5 The kernel energy method: a computational approach to large systems -- Chapter 6 The kernel energy method: accurate and fast calculations on large systems by example -- Chapter 7 The quantum theory of atoms in molecules -- Chapter 8 The quantum theory of atoms in molecules and quantum crystallography: a symbiosis -- Chapter 9 The calculation of the energy -- Epilogue -- Appendix 1 Historical note: N-representability -- Appendix 2 Comments regarding new discussions of quantum crystallography -- Appendix 3 Publications on quantum crystallography by the authors -- Index |
author_facet |
Matta, Chérif, Matta, Chérif, Huang, Lulu, Massa, Louis, Huang, Lulu, Huang, Lulu, Lombardi, Olimpia, Lombardi, Olimpia, Massa, Louis, Massa, Louis, |
author_variant |
c m cm c m cm l h lh l m lm |
author_role |
VerfasserIn VerfasserIn VerfasserIn VerfasserIn |
author2 |
Huang, Lulu, Huang, Lulu, Lombardi, Olimpia, Lombardi, Olimpia, Massa, Louis, Massa, Louis, |
author2_variant |
l h lh o l ol o l ol l m lm |
author2_role |
VerfasserIn VerfasserIn MitwirkendeR MitwirkendeR VerfasserIn VerfasserIn |
author_sort |
Matta, Chérif, |
title |
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_auth |
Quantum Crystallography / |
title_alt |
Frontmatter -- Acknowledgements -- Preface -- Foreword -- Contents -- About the authors -- Introduction -- Chapter 1 Some basic concepts of crystallography -- Chapter 2 Some basic concepts of quantum chemistry -- Chapter 3 Quantum crystallography: an introduction -- Chapter 4 Example applications of the Clinton equations -- Chapter 5 The kernel energy method: a computational approach to large systems -- Chapter 6 The kernel energy method: accurate and fast calculations on large systems by example -- Chapter 7 The quantum theory of atoms in molecules -- Chapter 8 The quantum theory of atoms in molecules and quantum crystallography: a symbiosis -- Chapter 9 The calculation of the energy -- Epilogue -- Appendix 1 Historical note: N-representability -- Appendix 2 Comments regarding new discussions of quantum crystallography -- Appendix 3 Publications on quantum crystallography by the authors -- Index |
title_new |
Quantum Crystallography / |
title_sort |
quantum crystallography / |
publisher |
De Gruyter, |
publishDate |
2023 |
physical |
1 online resource (XVIII, 197 p.) Issued also in print. |
contents |
Frontmatter -- Acknowledgements -- Preface -- Foreword -- Contents -- About the authors -- Introduction -- Chapter 1 Some basic concepts of crystallography -- Chapter 2 Some basic concepts of quantum chemistry -- Chapter 3 Quantum crystallography: an introduction -- Chapter 4 Example applications of the Clinton equations -- Chapter 5 The kernel energy method: a computational approach to large systems -- Chapter 6 The kernel energy method: accurate and fast calculations on large systems by example -- Chapter 7 The quantum theory of atoms in molecules -- Chapter 8 The quantum theory of atoms in molecules and quantum crystallography: a symbiosis -- Chapter 9 The calculation of the energy -- Epilogue -- Appendix 1 Historical note: N-representability -- Appendix 2 Comments regarding new discussions of quantum crystallography -- Appendix 3 Publications on quantum crystallography by the authors -- Index |
isbn |
9783110566673 9783111175782 9783111319292 9783111318912 9783111319230 9783111318660 9783110565713 9783110565669 |
url |
https://doi.org/10.1515/9783110566673 https://www.degruyter.com/isbn/9783110566673 https://www.degruyter.com/document/cover/isbn/9783110566673/original |
illustrated |
Not Illustrated |
dewey-hundreds |
500 - Science |
dewey-tens |
540 - Chemistry |
dewey-ones |
548 - Crystallography |
dewey-full |
548 |
dewey-sort |
3548 |
dewey-raw |
548 |
dewey-search |
548 |
doi_str_mv |
10.1515/9783110566673 |
oclc_num |
1394118962 |
work_keys_str_mv |
AT mattacherif quantumcrystallography AT huanglulu quantumcrystallography AT lombardiolimpia quantumcrystallography AT massalouis quantumcrystallography |
status_str |
n |
ids_txt_mv |
(DE-B1597)488192 (OCoLC)1394118962 |
carrierType_str_mv |
cr |
hierarchy_parent_title |
Title is part of eBook package: De Gruyter DG Plus DeG Package 2023 Part 1 Title is part of eBook package: De Gruyter EBOOK PACKAGE COMPLETE 2023 English Title is part of eBook package: De Gruyter EBOOK PACKAGE COMPLETE 2023 Title is part of eBook package: De Gruyter EBOOK PACKAGE Physics, Chemistry, Mat.Sc, Geosc 2023 English Title is part of eBook package: De Gruyter EBOOK PACKAGE Physics, Chemistry, Mat.Sc, Geosc 2023 |
is_hierarchy_title |
Quantum Crystallography / |
container_title |
Title is part of eBook package: De Gruyter DG Plus DeG Package 2023 Part 1 |
author2_original_writing_str_mv |
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