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

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...

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Bibliographic Details
Main Author: Sam P. de Visser (auth)
Other Authors: Thomas S. Hofer (auth)
Format: Book Chapter
Published: Frontiers Media SA 2018
Subjects:
Quantum Chemistry
Hybrid Quantum Mechanical/Molecular Mechanical
Density Functional Theory
Ab initio/First Principles
QM/MM
Empirical Potentials
Molecular Mechanics
Force Field
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