The effects of the cluster medel for diamond(111)plane on the interactive poten-tial between methyl and the surface were investigated theoretically and computationlly.

Progress in changing the structure of water clusters and the corresponding biological effects;

For proving the theory of formation of water cluster, the moment of inertia of a single water molecular was calculated through the method of quantum mechanics, and the molecular dynamics simulation of structure characteristic of water clusters was carried out on the base of preparation of hexcirclic water which has biological functions.

Scientists pay more attention to the exploring of microstructures and functions of water clusters, which has become one focus in this field recently.

Combined with the TIP3P potential energy, the structures of water clusters (H_2O)_n(n≤14) is studied using SPGA.

ABEEM/MM model and ab initio method has been applied to study the best way of adding one or two water molecules on small water clusters.

The distribution of water clusters under ambient conditions was first tested using a triple-quadRupole mass spectrometer coupled with a dielectric barrier discharge ionization source.

Application of ABEEM/MM model to study the properties of the water clusters(H_2O)_n(n=7～35);

The water clusters with the larged structures were separated into the water clusters with smalled structure under the effect of the hydrophilicity and charged characteristics for the surface hydroxyl group on the membrane.