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Complex systems geometric properties

O2-N2 systems, although in considerable less detail. Previous results on the N2-N2 system [44] have been reanalyzed, and a characterization of the N2-O2 complex has been presented a subsequent paper [10]. These results indicate that most of the bonding in the dimers comes from van der Waals (repulsion - - dispersion) and electrostatic (permanent quadrupole-permanent quadrupole) forces. On the other hand, chemical (spin-spin) contributions are not negligible for O2-O2, which is an open-shell-open-shell system [4,5]. Therefore the geometrical properties of the three dimers have been found to show interesting differences, to be seen in the next paragraph. [Pg.315]

In order to further illustrate the scope of the NeNePo technique and the abihty of our theoretical approach to treat more complex systems, two examples, Ag4 and Au4, have been chosen for the presentation, because they exhibit qualitatively different structural properties in the anionic state and have common properties in the neutral state. In the case of the silver tetramer, the global minima of the anion and of the neutral cluster assume related rhombic structures. Therefore, after photodetachment at low temperatures (T 50 K), which ensures that only the rhombic isomer is populated, the pump step reaches the nonequilibrium rhombic configuration close to the global minimum of the neutral species, as shown on the left-hand side of Fig. 4. Notice that the well-defined initial structure is a necessary condition to observe the time scales of the processes involved in the geometric relaxation of the neutral state, and therefore the experiments should be performed at low temperatures. [Pg.199]

Capillary network and porous material in the mesoscale can be viewed as a complex system consisting of two mutually interacting constituents, namely, the colloidal suspension and the wall material. The complexity of these components is connected mainly with the development of multiple spatio-temporal scales involved in a proper description of their physical, chemical, and geometrical properties. In the case of colloidal suspension, the multiple scales come from ... [Pg.717]

Engineering systems are complex systems, where complexity, in particular, means that the information about the system (its geometric and material properties) and its envirramient (loads)... [Pg.3673]

This chapter wih primarily focus on reviewing the coordination and activation of Al—H and Ga—H bonds at transition metal centers, making reference to key examples of related B—H o-complexes in order to put fundamental issues of electronic structure and bonding into appropriate context. In the interests of space, and with a view to comparing the intrinsic electronic/ geometric properties of the coordinated tr-bond, tethered systems in which the coordinated E—H bond forms part of an existing metal-bound ligand are not as a rule included. [Pg.4]

Porous solids of various origins are of various and complex morphology (ref. 1). Their structure is corpuscular (ensembles of particles) or spongy (labyrinth of shannels and cavities). Modelling of these complex systems is necessary for theoretical description and Interpretation of their geometrical, sorption, diffusion, mechanical, thermal and electrical properties (ref. 2). [Pg.105]

In Volume 1, the behaviour of fluids, both liquids and gases is considered, with particular reference to their flow properties and their heat and mass transfer characteristics. Once the composition, temperature and pressure of a fluid have been specified, then its relevant physical properties, such as density, viscosity, thermal conductivity and molecular diffu-sivity, are defined. In the early chapters of this volume consideration is given to the properties and behaviour of systems containing solid particles. Such systems are generally more complicated, not only because of the complex geometrical arrangements which are possible, but also because of the basic problem of defining completely the physical state of the material. [Pg.1]


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Complex systems

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