Combined Quantum Mechanical and Molecular Mechanical Methods Jiali Gao

ISBN: 9780841235908

Published: January 1st 1999

Hardcover

320 pages


Description

Combined Quantum Mechanical and Molecular Mechanical Methods  by  Jiali Gao

Combined Quantum Mechanical and Molecular Mechanical Methods by Jiali Gao
January 1st 1999 | Hardcover | PDF, EPUB, FB2, DjVu, talking book, mp3, RTF | 320 pages | ISBN: 9780841235908 | 3.14 Mb

Combined quantum mechanical and molecular mechanical methods (QM/MM) are one of the most promising approaches for quantum mechanical calculations of chemical processes in solution and in enzymes. In such a method a relatively small part of the systemMoreCombined quantum mechanical and molecular mechanical methods (QM/MM) are one of the most promising approaches for quantum mechanical calculations of chemical processes in solution and in enzymes.

In such a method a relatively small part of the system (e.g., the solute) is analyzed through quantum mechanics and the remainder (e.g., the solvent) is represented through molecular mechanics, thus combining the accuracy of one method with the efficiency of the other. This book provides an in-depth survey of the methods and their applications in chemistry and biochemistry.



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