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Quantum Crystallography

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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 ...
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  • 05 September 2023
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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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Price: $162.99
Pages: 215
Publisher: De Gruyter
Imprint: De Gruyter
Publication Date: 05 September 2023
ISBN: 9783110565669
Format: Hardcover
BISACs: SCI013050 SCIENCE / Chemistry / Physical & Theoretical, SCI013070 SCIENCE / Chemistry / Computational & Molecular Modeling, SCI016000 SCIENCE / Physics / Crystallography, SCI057000 SCIENCE / Physics / Quantum Theory, TEC021000 Technology & Engineering / Materials Science / General
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Prof. Chérif F. Matta, Mount Saint Vincent University, Canada; Prof. Louis J. Massa, Dr. Lulu Huang, City University of NY, USA.