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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Главные авторы:	Sam P. de Visser, Thomas S. Hofer
Формат:	Online
Язык:	английский
Опубликовано:	Frontiers Media SA 2021
Предметы:	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-ссылка:	32024
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