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...

Spatial concepts are structurally represented in spoken language by a 3-level system. At the componential level, there is a relatively closed universally available inventory of fundamental spatial elements. At the compositional level, elements of the inventory combine in particular arrangements to form whole spatial schemas. Each language has a relatively closed set of ”pre-packaged” schemas of...

in this paper, landscape allocation using genetic algorithm (laga), a spatial multi-objective land use optimization software is introduced. the software helps in searching for optimal land use when multiple objectives such as suitability, area, cohesion and edge density indices are simultaneously involved. laga is a flexible and easy to use genetic algorithm-based software for optimizing the sp...

A conformational search space describing the relative position and orientation of protein secondary structure elements in three-dimensions was defined. These spatial relations were encoded by homogeneous transformation matrices between pairs of residues "in contact" in two different secondary structure elements. A database of all occurrences of spatial relations for five hydrophobic residues wa...

A new approach for generating high-speed multispectral images has been developed. The central concept is that spectra can be acquired for each pixel in a confocal spatial scan by using a fast spectrometer based on optical fiber delay lines. This concept merges fast spectroscopy with standard spatial scanning to create datacubes in real time. The spectrometer is based on a serial array of reflec...