119,95 €*

in Vorbereitung

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.

ISBN 9783110565669
Artikelnummer 9783110565669
Medientyp Buch
Copyrightjahr 2023
Verlag De Gruyter
Umfang XVIII, 197 Seiten
Abbildungen 10 b/w and 23 col. ill., 3 b/w tbl.
Sprache Englisch