The Ideas

Claudius Galen (AD 129-200) first attempted to consider the theoretical background of pharmacology. Both theory and practical experience were to contribute equally to the rational use of medicines through interpretation of the observed and the experienced results  

The empiricists say that all is found by experience. We, however, maintain that it is found in part by experience, in part by theory. Neither experience nor theory alone is apt to discover all. 

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Another characteristic similar to A/ 100 is the Distribution Octane Number (DON) proposed by Mobil Corporation and described in ASTM 2886. The idea is to measure the heaviest fractions of the fuel at the inlet manifold to the CFR engine. For this method the CFR has a cooled separation chamber placed between the carburetor and the inlet manifold. Some of the less volatile components are separated and collected in the chamber. This procedure is probably the most realistic but less discriminating than that of the AJ 100 likewise, it is now only of historical interest. 

The idea of clean motor and heating fuels, that is, those having an improved impact on the environment, has been developing since the beginning of the 1980s, first in the United States. It has since then appeared in Europe and will most certainly have its impact in the rest of the world beyond the year 2000. 

Odor is of prime importance because a petroleum solvent is often used in closed rooms moreover, the idea of odor is tied instinctively in the public image to toxicity. Odor is a function of the solvent s composition and volatility. Generally, the paraffin hydrocarbons are less odorous while the aromatics are more so. 

The idea of using mathematical modeling for describing materials behavior under loads is well known. Some physical phenomena, which can be observed in materials during testing, have time dependent quantitative characteristics. It gives a possibility to consider them as time series and use well developed models for their analysis [1, 2]. Usually applied... 

From where the idea to do a processing of the image received by this spectrum to identify this defect. 

The idea that unsymmetrical molecules will orient at an interface is now so well accepted that it hardly needs to be argued, but it is of interest to outline some of the history of the concept. Hardy [74] and Harkins [75] devoted a good deal of attention to the idea of force fields around molecules, more or less intense depending on the polarity and specific details of the structure. Orientation was treated in terms of a principle of least abrupt change in force fields, that is, that molecules should be oriented at an interface so as to provide the most gradual transition from one phase to the other. If we read interaction energy instead of force field, the principle could be reworded on the very reasonable basis that molecules will be oriented so that their mutual interaction energy will be a maximum. 

Coughlan G D and Dodd J E 1991 The Ideas of Particle Physics An Introduction for Scientists 2nd edn (Cambridge Cambridge University Press)... 

We hope that by now the reader has it finnly in mind that the way molecular symmetry is defined and used is based on energy invariance and not on considerations of the geometry of molecular equilibrium structures. Synnnetry defined in this way leads to the idea of consenntion. For example, the total angular momentum of an isolated molecule m field-free space is a conserved quantity (like the total energy) since there are no tenns in the Hamiltonian that can mix states having different values of F. This point is discussed fiirther in section Al.4.3.1 and section Al.4.3.2. 

The potential has a spurious maximum at r where the r ° tenn again starts to dominate. The dimensionless parameter a is a measure of the steepness of the repulsion and is often assigned a value of 14 or 15. The ideas... 

We conclude this section by discussing an expression for the excess chemical potential in temrs of the pair correlation fimction and a parameter X, which couples the interactions of one particle with the rest. The idea of a coupling parameter was mtrodiiced by Onsager [20] and Kirkwood [Hj. The choice of X depends on the system considered. In an electrolyte solution it could be the charge, but in general it is some variable that characterizes the pair potential. The potential energy of the system... 

The theory of strong electrolytes due to Debye and Htickel derives the exact limiting laws for low valence electrolytes and introduces the idea that the Coulomb interactions between ions are screened at finite ion concentrations. 

If these assumptions are satisfied then the ideas developed earlier about the mean free path can be used to provide qualitative but useful estimates of the transport properties of a dilute gas. While many varied and complicated processes can take place in fluid systems, such as turbulent flow, pattern fonnation, and so on, the principles on which these flows are analysed are remarkably simple. The description of both simple and complicated flows m fluids is based on five hydrodynamic equations, die Navier-Stokes equations. These equations, in trim, are based upon the mechanical laws of conservation of particles, momentum and energy in a fluid, together with a set of phenomenological equations, such as Fourier s law of themial conduction and Newton s law of fluid friction. When these phenomenological laws are used in combination with the conservation equations, one obtains the Navier-Stokes equations. Our goal here is to derive the phenomenological laws from elementary mean free path considerations, and to obtain estimates of the associated transport coefficients. Flere we will consider themial conduction and viscous flow as examples. 

The system of coupled differential equations that result from a compound reaction mechanism consists of several different (reversible) elementary steps. The kinetics are described by a system of coupled differential equations rather than a single rate law. This system can sometimes be decoupled by assuming that the concentrations of the intennediate species are small and quasi-stationary. The Lindemann mechanism of thermal unimolecular reactions [18,19] affords an instructive example for the application of such approximations. This mechanism is based on the idea that a molecule A has to pick up sufficient energy... 

As a result of several complementary theoretical efforts, primarily the path integral centroid perspective [33, 34 and 35], the periodic orbit [36] or instanton [37] approach and the above crossover quantum activated rate theory [38], one possible candidate for a unifying perspective on QTST has emerged [39] from the ideas from [39, 40, 4T and 42]. In this theory, the QTST expression for the forward rate constant is expressed as [39]... 

The Franck-Condon principle says that the intensities of die various vibrational bands of an electronic transition are proportional to these Franck-Condon factors. (Of course, the frequency factor must be included for accurate treatments.) The idea was first derived qualitatively by Franck through the picture that the rearrangement of the light electrons in die electronic transition would occur quickly relative to the period of motion of the heavy nuclei, so die position and iiioiiientiim of the nuclei would not change much during the transition [9]. The quaiitum mechanical picture was given shortly afterwards by Condon, more or less as outlined above [10]. 

It was the idea of Winterton [2] to glue the otherwise fragile mica sheets onto polished silica discs to give them better mechanical stability, especially for friction experiments. The glue layer detemiines the final... 

On metals in particular, the dependence of the radiation absorption by surface species on the orientation of the electrical vector can be fiilly exploited by using one of the several polarization techniques developed over the past few decades [27, 28, 29 and 30], The idea behind all those approaches is to acquire the p-to-s polarized light intensity ratio during each single IR interferometer scan since the adsorbate only absorbs the p-polarized component, that spectral ratio provides absorbance infonnation for the surface species exclusively. Polarization-modulation mediods provide the added advantage of being able to discriminate between the signals due to adsorbates and those from gas or liquid molecules. Thanks to this, RAIRS data on species chemisorbed on metals have been successfidly acquired in situ under catalytic conditions [31], and even in electrochemical cells [32]. 

In the final section, we will survey the different theoretical approaches for the treatment of adsorbed molecules on surfaces, taking the chemisorption on transition metal surfaces, a particularly difficult to treat yet extremely relevant surface problem [1], as an example. Wliile solid state approaches such as DFT are often used, hybrid methods are also advantageous. Of particular importance in this area is the idea of embedding, where a small cluster of surface atoms around the adsorbate is treated with more care than the surroundmg region. The advantages and disadvantages of the approaches are discussed. 

One of the first cluster embedding schemes was put forth by Ellis and co-workers [172]. They were interested in studying transition metal impurities in NiAl alloys, so they considered a TMAl cluster embedded in a periodic self-consistent crystal field appropriate for bulk p -NiAl. The field was calculated via calculations, as was the cluster itself The idea was to provide a relatively inexpensive alternative to supercell DET calculations. 

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