A computational scheme is presented which combines quantum mechanical ab initio techniques with methods using analytical potential functions. The scheme is designed for use in structure optimizations and is also applicable to molecular dynamics simulations. The implementation covers both molecular a
Modelling the Structure and Function of Biofilm Systems with new Numerical Techniques
β Scribed by Lars Teichmann; Harald Horn; Dietmar C. Hempel
- Publisher
- John Wiley and Sons
- Year
- 2001
- Tongue
- German
- Weight
- 42 KB
- Volume
- 73
- Category
- Article
- ISSN
- 0009-286X
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