검색결과 : 5건
| No. | Article |
|---|---|
| 1 |
A comparative study of two QM/MM methods testing the validity of the mean field approximation Martin ME, Aguilar MA, Chalmet S, Ruiz-Lopez M Chemical Physics Letters, 344(1-2), 107, 2001 |
| 2 |
The reaction field of a water molecule in liquid water: Comparison of different quantum/classical models Chalmet S, Ruiz-Lopez MF Journal of Chemical Physics, 115(11), 5220, 2001 |
| 3 |
Computer simulation of amide bond formation in aqueous solution Chalmet S, Harb W, Ruiz-Lopez MF Journal of Physical Chemistry A, 105(51), 11574, 2001 |
| 4 |
New approaches to the description of short-range repulsion interactions in hybrid quantum/classical systems Chalmet S, Ruiz-Lopez MF Chemical Physics Letters, 329(1-2), 154, 2000 |
| 5 |
Molecular dynamics simulation of formamide in water using density functional theory and classical potentials Chalmet S, Ruiz-Lopez MF Journal of Chemical Physics, 111(3), 1117, 1999 |