Cluster-in-molecule

Local Correlation CC Methods Employing the Cluster-In-Molecule Ansatz and Their Efficient Computer Implementation... 

The Cluster-In-Molecule Approach to Local CC Calculations Formal Concepts Behind the CIM-CCSD, CIM-CR-CC(2,3), and CIM-CCSD(T) Methods... 

Surface Micelles. The possibility of forming clusters of molecules or micelles in monolayer films was first proposed by Langmuir [59]. The matter of surface micelles and the issue of equilibration has been the subject of considerable discussion [191,201,205-209]. Nevertheless, many ir-a isotherms exhibit nonhorizontal lines unexplained by equations of state or phase models. To address this, Israelachvili [210] developed a model for ir-u curves where the amphiphiles form surface micelles of N chains. The isotherm... 

Plenary 9. J W Nibler et al, e-mail address niblerj chem.orst.edu (CARS and SRS). High resolution studies of high lymg vibration-rotational transitions in molecules excited in electrical discharges and low density monomers and clusters in free jet expansions. Ionization detected (REMPI) SRS or IDSRS. Detect Raman... 

The field of fullerene chemistry expanded in an unexpected direction in 1991 when Sumio lijima of the NEC Fundamental Research Laboratories in Japan discovered fibrous carbon clusters in one of his fullerene preparations This led within a short time to substances of the type portrayed in Figure 11 7 called single-walled nanotubes The best way to think about this material IS as a stretched fullerene Take a molecule of Ceo cut it in half and place a cylindrical tube of fused six membered carbon rings between the two halves... 

Type V isotherms of water on carbon display a considerable variety of detail, as may be gathered from the representative examples collected in Fig. 5.14. Hysteresis is invariably present, but in some cases there are well defined loops (Fig. 5.14(b). (t ), (capillary-condensed water. Extreme low-pressure hysteresis, as in Fig. 5.14(c) is very probably due to penetration effects of the kind discussed in Chapter 4. 

Fig. 3.2. Variation of free energy of a cluster of molecules on a surface as a function of the number of molecules, at a fixed supercooling. N is the number of molecules at which the free energy is a maximum. Any cluster larger than Ns is stable. The dashed curves show the contributions from the increase in surface area and the decrease in bulk free energy. Increasing the supercooling shifts all curves towards the origin and decreases the height of the maximum...

The contact of adsorbed ethanol layers should bring about the long-range attraction observed between glass surfaces in ethanol-cyclohexane mixtures. The attraction starts to decrease at -0.5 mol% ethanol, where ethanol starts to form clusters in the bulk phase. It is conceivable that the cluster formation in the bulk influences the structure of the adsorbed alcohol cluster layer, thus modulating the attraction. We think that the decrease in the attraction is due to the exchange of alcohol molecules between the surface and the bulk clusters. 

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