Development of polarizable force fields and hybrid QM/MM methods for the study of reaction mechanisms
<p>Computational chemists have successfully simulated many systems by applying the principles of quantum mechanics, while approximate molecular mechanical models have seen great utility in problems of biochemical interest. In recent years, a number of methods have been developed to combine the...
| מחבר ראשי: | |
|---|---|
| מחברים אחרים: | |
| פורמט: | Thesis |
| שפה: | English |
| יצא לאור: |
2003
|
| נושאים: |