Quantum Mechanical/Molecular Mechanical Approaches for the Investigation of Chemical Systems - Recent Developments and Advanced Applications

The QM/MM method, short for quantum mechanical/molecular mechanical, is a highly versatile approach for the study of chemical phenomena, combining the accuracy of quantum chemistry to describe the region of interest with the efficiency of molecular mechanical potentials to represent the remaining pa...

Ausführliche Beschreibung

Bibliographische Detailangaben

Hauptverfasser:	Sam P. de Visser, Thomas S. Hofer
Format:	Online
Sprache:	Englisch
Veröffentlicht:	Frontiers Media SA 2021
Schlagworte:	QD1-999 Q1-390 Quantum Chemistry Hybrid Quantum Mechanical/Molecular Mechanical Density Functional Theory Ab initio/First Principles QM/MM Empirical Potentials Molecular Mechanics Force Field thema EDItEUR::P Mathematics and Science::PN Chemistry
Online-Zugang:	32024
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