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What is next

We have been interested in extending the set of atomic and molecular systems to analyze within the time-dependent approach END. [Pg.120]

In order to apply the END model to higher energies, we need to include a better description of the continuum states (ionization process) than the discretized version provided by the present implementation of TDHF like theory. This work is in progress. [Pg.121]

Furthermore, we are working on the visualization of the physical effects as obtained by the END model. From the time-dependent solution to the system wave function, one can provide a visual representation (snap-shots) of the density, bond breaking, rotations and vibrations during the collision. [Pg.121]

In Fig. 15, we present a snap-shot of the electronic density for protons colliding with atomic hydrogen as a function of time. [Pg.121]

We are extending this type of representation to more sophisticated colliding systems. [Pg.122]


The demand for RMs and CRMs continues to grow. As traditional chemical analysis moves into biochemistry and molecular biology the demand for RMs does not abate the only question is what is next Chapter 9 considers these, and other future issues critically. [Pg.7]

What the Future Holds What Is Next for Treatment ... [Pg.44]

So far we have established in a qualitative way the importance of the metal properties on the characteristics of the interfacial region through two properties, the relation of Omvs. pzc and the capacitance of the double layer. What is next At this point it would be good to obtain a detailed model of the metal region and then determine—now in a quantitative way—the influence of the metal on the interfacial properties, similarly to the procedure followed when studying the solution region (Section 6.6.1). [Pg.173]

What is next The above results give only a particular view of one part of the interface, i.e., the solvent structure. It would be good to End how this solvent and its changes in configuration affect—if at all—the total interfacial properties, for example, properties that we are already familiar with, such as the surface potential or the capacity. Thus, what would be the expression for the surface potential due to a layer... [Pg.188]

What is next Several examples were given of modem experimental electrochemical techniques used to characterize electrode-electrolyte interactions. However, we did not mention theoretical methods used for the same purpose. Computer simulations of the dynamic processes occurring in the double layer are found abundantly in the literature of electrochemistry. Examples of topics explored in this area are investigation of lateral adsorbate-adsorbate interactions by the formulation of lattice-gas models and their solution by analytical and numerical techniques (Monte Carlo simulations) [Fig. 6.107(a)] determination of potential-energy curves for metal-ion and lateral-lateral interaction by quantum-chemical studies [Fig. 6.107(b)] and calculation of the electrostatic field and potential drop across an electric double layer by molecular dynamic simulations [Fig. 6.107(c)]. [Pg.248]

Chandrasegaran, S., and Smith, J. (1999). Chimeric restriction enzymes what is next Biol. Chem., 380, 841-848. [Pg.69]

Mazighi M, LavaUee PC, Labreuche J, Amarenco P. Statin therapy and stroke prevention what was known, what is new and what is next Curr. Opin. Lipidol. 2007 18 622-625. [Pg.259]

So, 20 years on from the introduction of Responsible Care , what is next Many chemical companies are starting to ask the hard questions about what a sustainable... [Pg.557]

Valdes R Jr, Linder MW, Jortani SA. What is next in pharmacogenomics Translating it to clinical practice. Pharmacogenomics 2003 4(4) 499-505. [Pg.17]

Hay ME (1996) Marine chemical ecology what is known and what is next J Exp Mar Biol Ecol 200 103-134... [Pg.61]

Jain, A., Dixit, P., 2008. Multidrug resistant to extensively drug resistant tuberculosis what is next J. Biosci. 33 (4), 605—616. [Pg.361]

Let us take a larger step toward formal verification. In what is next we will extend the results to larger networks by combining the three networks presented before. We prepared some simulations designed in order to cope with some possible scenarios for some target markings with different cardinality. [Pg.11]

Notice the number 2.540 x 10 ° [Jj it is repeated for each quantum level and you should keep it. What is next You have the 3rd, 4th,... and, finally, 12th electron and you are going to place them into the level with = 2 (two electrons), n = 3 (two electrons), and so on, up to and including the level with = 6. So the total energy of the 12 7T (p) electrons arranged on the lowest six rungs of the well will be given as... [Pg.163]

Albert Eschenmoser Are these good names abzymes, chemzymes What is next ... [Pg.614]

Now that we have accomplished ring opening, what is next Simply looking at the topology of F and the desired B, we can see that we need to form a (double) bond between the 8-carbon of the imine and the carbonyl carbon. If the imine were a ketone, we would accomplish this by an intramolecular aldol condensation (Section 18-7). Here, we utilize the imine as a masked ketone, via its enamine form G as the nucleophile. The individual steps are completely analogous. [Pg.967]

So is OPV all figured out If not, what is next Now that the science of determining how to synthesize high efficiency materials, how to process the mixtures, how to fabricate the devices, how to characterize each step of the film formation, and how to measure the optical and electrical features of the device have been established, we still need to reliably engineer good devices. In particular, it is necessary to determine the following ... [Pg.225]


See other pages where What is next is mentioned: [Pg.557]    [Pg.196]    [Pg.428]    [Pg.225]    [Pg.161]    [Pg.412]    [Pg.99]    [Pg.120]    [Pg.728]    [Pg.79]    [Pg.45]    [Pg.302]    [Pg.97]    [Pg.218]   


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