We propose a scaling of an intrinsic molecular chirality index calculated from atomic positions. Its application to the design of chiral molecules through a consideration of atomic or group chiral indices is discussed for a range of molecules from small molecules to liquid crystal molecules. It is found to indicate the trend in change of chirality of a molecule caused by an atom or group substitution. Comparison is made between the method of scaling and an analytic calculation of the index for an orthogonal tetrahedron. We investigate the effect of substitution of atoms and groups in real liquid crystal molecules by application of the generalized chiral index
We propose a predictive 'building-up' of tetrahedral molecules, based on a previously derived 'chira...
In chemistry, biology, and physics, ""chirality"" is an important concept in nature. Especially in c...
International audienceFrom group theoretical arguments, we demonstrate that the effective molecular ...
Weighed, scaled chirality indices have been calculated for a group of chiral nickel dithiolene dyes ...
Results are presented from theoretical studies and from a series of molecular dynamics simulations u...
On the basis of empirical Fischer projections, we develop an algebraic approach to the central molec...
Abstract: We review the main properties of the chiral index. Its use as an asymmetry coefficient of ...
University of Minnesota M.S. thesis. February 2011. Major: Chemistry. Advisors: Subhash Basak, Paul ...
A property termed helicity tensor, defined on the basis of the molecular shape, is proposed to quant...
The fundamental issues of symmetry related to chirality are discussed and applied to simple situatio...
Chirality is of primary importance in many areas of chemistry and has been extensively investigated ...
When a chiral dopant is dissolved in an achiral liquid crystal medium, the whole sample organizes in...
International audienceIt is shown how the root mean square chiral index is computed without enumerat...
When a chiral dopant is dissolved in an achiral liquid crystal medium, the whole sample organizes in...
Chiral compounds are very important in drug development, organic synthesis, materials science, toxic...
We propose a predictive 'building-up' of tetrahedral molecules, based on a previously derived 'chira...
In chemistry, biology, and physics, ""chirality"" is an important concept in nature. Especially in c...
International audienceFrom group theoretical arguments, we demonstrate that the effective molecular ...
Weighed, scaled chirality indices have been calculated for a group of chiral nickel dithiolene dyes ...
Results are presented from theoretical studies and from a series of molecular dynamics simulations u...
On the basis of empirical Fischer projections, we develop an algebraic approach to the central molec...
Abstract: We review the main properties of the chiral index. Its use as an asymmetry coefficient of ...
University of Minnesota M.S. thesis. February 2011. Major: Chemistry. Advisors: Subhash Basak, Paul ...
A property termed helicity tensor, defined on the basis of the molecular shape, is proposed to quant...
The fundamental issues of symmetry related to chirality are discussed and applied to simple situatio...
Chirality is of primary importance in many areas of chemistry and has been extensively investigated ...
When a chiral dopant is dissolved in an achiral liquid crystal medium, the whole sample organizes in...
International audienceIt is shown how the root mean square chiral index is computed without enumerat...
When a chiral dopant is dissolved in an achiral liquid crystal medium, the whole sample organizes in...
Chiral compounds are very important in drug development, organic synthesis, materials science, toxic...
We propose a predictive 'building-up' of tetrahedral molecules, based on a previously derived 'chira...
In chemistry, biology, and physics, ""chirality"" is an important concept in nature. Especially in c...
International audienceFrom group theoretical arguments, we demonstrate that the effective molecular ...