Faces interactions

Fig. 4 Representation of the edge-to-face and face-to-face interactions in bis(terim-ine)metal systems. From [115]. Reproduced with the permission of CSIRO Publishing (www.publish.csiro.au/journals/ajc/)...

Figure 11. X-ray crystal structure of Jacobsen s diimine-copper styrene complex (116) showing aromatic face-face and edge-face interactions (PF6 counterion and some hydrogen atoms omitted for clarity). [Adapted from (62).]...

Figure 6.15 The floe volume in shear against the number of particles per floe for a kaolin suspension. Different aggregation numbers for edge-edge and edge-face interactions were achieved by adjusting pH and electrolyte conditions. Face-face interactions were induced by the addition of a monolayer of HDTAB...

The developments just described, and many others, are possible because health scientists and chemists communicate by writing books, journal articles, and letters. They use the Internet to post results and hold discussions. They also communicate face-to-face by giving presentations and lectures, and by chatting over coffee. A scientific conference is the perfect place for such face-to-face interactions. 

The basis-set dependence and correlation correction for the -values were first studied by using the idealized face-to-face interaction between two methyl radicals. The interaction was found to be always antiferromagnetic, and the APUMP2 4-3IG procedure was found to be best for semiquanti-tative evaluation the APUHF STO-3G method was still acceptable for qualitative discussion of larger systems (Yamaguchi et al., 1989a). 

A number of papers deal with aspects of [Ru(phen)3] ". In the solid state, [Ru(phen)3] PF6]2 consists of racemic layers of cations, between which the anions reside. This contrasts with the structure of [Ru(bpy)3][PFg]2 which possesses homochiral layers. Racemic layers of [Ru(phen)3] " " cations are observed in the perchlorate salt. The structure of A-[Ru(phen)3][PF6]2 has been determined. Data for 335 M(phen), 159 M(phen)2, and 33M(phen)3 complexes from the Cambridge Structural Database have been analyzed and show that offset face-to-face inter-phen interactions are more common that edge-to-face interactions. ... 

The structure determination allows for an examination of the intermolecu-lar interactions of the three-component cocrystal (Fig. 17). Hydrogen bonding is observed between the carbonyls of BQ 21 and the hydroxyls of BN 20. A four-component u-stacking motif is apparent among two molecules each of BQ 21 and BN 20. Finally, edge-to-face interactions are observed with two molecules each of BQ 21 and AN 16. 

In the requisite DAh geometry the constituents of the metal-metal quadruple bond comprise a a bond of axg symmetry, formed by the linear union of dz j AOs, a it bond of eu symmetry, which results from the end-to-end overlap of dxz and dyz AOs, and the 8 bond of b2g symmetry, which arises from the face-to-face interaction of eclipsed dxy AOs. When the ligands are considered many additional interactions take place and MO calculations must be used to delineate a cogent MO scheme. For the parent tetracarboxylate, Mo2(02CH)4,... 

It is very rare that you need to see the individual. However, you do need pointing capabilities, highlighting capabilities, and annotation capabilities. The notion of collaboration around work versus collaboration between individuals strikes me as one of the ways that we will see different tool sets evolve to support those kinds of interactions. Thus, while I accept your premise, I really believe that enterprises are going to focus on things like instrumenting experiments and design representations, as opposed to substituting for this kind of face-to-face interaction. 

Analogue 422 is much less affected by the dock minimization and coincidentally is much less well predicted by the 160 Dock model. Though only 3% as active as artemisinin, this compound is predicted to be much more active than analogue 421. This added activity might be attributed to the focus by the dock model on the peroxide face interaction with hemin compounds with substituents on the (3-face are not as thoroughly represented by the model as a whole, and are less likely to be predicted well. 

---