Water quasi-symmetry

Table 1. Convergence in a CASSCF calculation on water, with a DTP basis. The approximate super-CI method was used with and without quasi-Newton update. The active space comprised 8 orbitals (4a12b1, 2b2 in C2v symmetry), yielding 492 CSF s. The Is orbital was inactive.

In Fig. 6 we show a pictorial view of the RC protein surrounded by its detergent. The LDAO molecules are represented by their molecular surface and no water molecules are displayed. This picture is evocative of the detergent micellar structure revealed by the low r olution neutron scattering study of the RC crystal[30]. As in that investigation, our detergent has formed a distinct micelle around the protein. Its thickness along the quasi-C2 symmetry axis is around 25-30 A, similar to that obsa ed experimentally. We point out that in the simulation the micelle is a rather... 

Recently it was shown [156] that in the system C12E8-water, upon cooling samples containing less than 39% surfactant, a new type of nonbirefringent hexagonal micellar phase was observed. It had two quasi-spherical micelles per unit cell of hexagonal symmetry. 

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