| Combined Quantum Mechanical and Molecular Mechanical Methods Revised Edition Contributor(s): Gao, Jiali (Author), Thompson, Mark a. (Author) |
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ISBN: 0841235902 ISBN-13: 9780841235908 Publisher: American Chemical Society OUR PRICE: $330.75 Product Type: Hardcover Published: January 1999 * Not available - Not in print at this time *Annotation: 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 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. |
| Additional Information |
| BISAC Categories: - Science | Chemistry - Physical & Theoretical - Medical - Science | Life Sciences - Biophysics |
| Dewey: 541.28 |
| LCCN: 98034174 |
| Physical Information: 0.88" H x 6" W x 9" (1.42 lbs) 320 pages |
| Descriptions, Reviews, Etc. |
| Publisher Description: 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 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. |