Structure of small hydrogen nanoclusters containing ortho-molecules

Theoretical study of magnetic susceptibility and optical activity of small molecules containing one chiral center

In the first part of this work, correlation between optical activity and elements of magnetic susceptibility tensor (MST) for five classes of model small molecules containing a single chiral center has been studied using quantum computational techniques at DFT-B3LYP level of theory with 6-311G basis set. Several molecular properties are used to reduce the MST elements prior to the examination o...

INTERACTION OF PROTEINS WITH SMALL MOLECULES

theoretical study of magnetic susceptibility and optical activity of small molecules containing one chiral center

in the first part of this work, correlation between optical activity and elements of magnetic susceptibility tensor (mst) for five classes of model small molecules containing a single chiral center has been studied using quantum computational techniques at dft-b3lyp level of theory with 6-311g basis set. several molecular properties are used to reduce the mst elements prior to the examination o...

Applications of Small Molecules in Muscle Tissue Engineering

Introduction: Skeletal muscles account for about 40% of the total body weight. Every year, hundreds of people lose at least part of their muscle tissue due to illness, war, and accidents. This can lead to disruption of activities such as breathing, movement, and social life. To this end, various therapeutic strategies such as medication therapy, cell therapy and tissue transplantation have been...

Polygonal tiling of some surfaces containing fullerene molecules

A tiling of a surface is a decomposition of the surface into pieces, i.e. tiles, which cover it without gaps or overlaps. In this paper some special polygonal tiling of sphere, ellipsoid, cylinder, and torus as the most abundant shapes of fullerenes are investigated.