In this research, the influence of structure on the tensile properties of single- walled carbon nanotubes (CNTs) is evaluated using molecular mechanics technique and finite element method. The effects of diameter, length and chiral angle on elastic modulus and Poisson’s ratio of armchair, zigzag and chiral structures are investigated. To simulate the CNTs, a 3D FEM code is developed using the A...

abstractthe liquid crystal director distribution is determined for a confined chiral nematic slab. the molecular director distribution of the field-controlled chiral nematic slab is directly calculated. the director profiles for the tilt and the twist angles, under different applied fields, are calculated in the slab with weak boundary conditions. then, the dependence of the threshold field on ...

BINAP aminophosphines are prevalent N,P-bidentate, chiral ligands for asymmetric catalysis. While modification via the BINAP-nitrogen linkage is well explored and has provided a diverse body of derivatives, modification of the other substituents of the phosphorous center is another avenue in generating new congeners of this important class of chiral ligands. Herein reported are new BINAP aryl a...

Experimental determination of solubility and ternary phase diagram of chiral compound are of tedious and time consuming tasks, and in many cases, there is not enough experimental data for different enantiomeric compositions to access the experimental ternary phase diagram. Using thermodynamic models with predictive capability, having less dependency on experimental data, affords a great advanta...

A general microscale protocol for the determination of absolute configurations of primary amino groups or secondary hydroxyl groups linked to a single stereogenic center is described. The chiral substrates are linked to the achiral trifunctional bidentate carrier molecule (3-aminopropylamino)acetic acid (1, H(2)NCH(2)CH(2)CH(2)NHCH(2)COOH) and the resultant conjugates are then complexed with di...

22 Some aspects of metal-catalyzed heterogeneous enantioselective reactions are reviewed with specific 23 reference to four different systems where the phenomena that control enantioselection appear to be very 24 different. In the case of glucose electro-oxidation it is clear that any intrinsic chirality present at the 25 metal surface plays a vital role. With -keto hydrogenation, achiral surf...

For life to start on earth and elsewhere, it is critical that the building blocks—amino acids and sugars—be in predominant homochiral form. Over the past century, the origin of terrestrial prebiotic homochirality has been the subject of many speculations. In this Letter I summarize the experimental evidence for ways in which some meteoritic components could have led to the dominance of L amino ...

During the past decade, the use of Au(I) complexes for the catalytic activation of C-C π-bonds has been investigated intensely. Over this time period, the development of homogeneous gold catalysis has been extraordinarily rapid and has yielded a host of mild and selective methods for the formation of carbon-carbon and carbon-heteroatom bonds. The facile formation of new bonds facilitated by gol...

In helical polymers, sense induction is usually commanded by teleinduction mechanism, where the largest substituent of chiral residue directly attached to main chain one that commands sense. this work, different structures with senses are induced in a polymer [poly-(phenylacetylene)] when conformational composition two dihedral angles pendant group more than residues tamed. Thus, while angle at...

The title compound, C(11)H(22)N(2)O(2), has one chiral center and packs in the monoclinic space group P2(1). The asymmetric unit has five crystallographically independent mol-ecules, four of which engage in inter-molecular N-H⋯O hydrogen bonding.