Sentence examples for molecular packing analysis from inspiring English sources

A molecular packing analysis was made on the five structures, using the XPac program [15].

A detailed packing analysis by molecular mechanics has been effected in order to clarify some features of the crystal structure of the most stable form.

The analysis of molecular packing was based on elucidation of hierarchical self-associated structural units.

The information obtained from the topology graphs is consistent and complementary with the results of a previous packing analysis [38] showing that Stz-III has a molecular bilayer in common with each of Stz-IV and Stz-V.

The improved charge mobility from PPT to FPPT (5- perfluorophenyl -11-phenyltetracene) can be attributed to favorable molecular packing due to the increase of π–π interaction which is confirmed by Hirshfeld surfaces analysis.

Such complexes were easily obtained as crystals of suitable morphology for X-ray single crystal analysis from slow evaporation of aqueous solutions; hence, their coordination structures and molecular packing were well known.

Single crystal analysis on EBP showed the longer emission of in aggregated state was attributed to the molecular packing effect as compared with that in dilute solution.

Further analysis involving the salts and cocrystals of triamterene will allow for identification of the preferred molecular packing unit by comparing the synthons formed in these crystal structures with those found in triamterene.

The current emphasis of crystal engineering, which has evolved over the past three decades through crystal packing analysis and identification of crystal design strategies, has shifted from structure to properties, i.e., design of molecular solids with targeted combination of properties.

The crystal structures were obtained by molecular packing calculations.

C60/Ag(1 0 0) presents a unique uniaxially incommensurate molecular packing.