Empire Calls

Leadership in thejield of science. .. is of utmost value to the nation politically, not to mention its economic benefits.. . . When [German scientific research] receives the same weapons that foreigners possess, it will be not just equal to them it will win new peaceful victories  

We cannot compete succesfiully with Germany, in war or in peace, unless we utilize science to the full for military and industrial purposes. 

ON MAY 14, 1910, a gaggle of very rich Germans gathered at Wilhelmstrasse 63 in downtown Berlin. They d been called together by leaders of Prussia, the dominant state in the German empire. The fortunes of these men were built on steel, electrical equipment, chemicals, and banking. 

Prussian officials welcomed the moguls, then delivered an extraordinary appeal. The German emperor Wilhelm II, who was also king of Prussia, wanted them to bankroll a new marriage of science and patriotism. 

The proposal came originally from the theologian Adolf von Harnack. A few months earlier, Harnack had delivered it in a private speech to the emperor on the state of German science, and Wilhelm had decided to adopt it as his own. 

---

AD. Tseng Tsao of Wei at the San Quo Dynasty threw stones in the battle of Kuan Tu by means of the thunder vehicle (Ref 66, p 12), which was actually stone ballista (Ref 66, p 24) 222—235 AD. Alexander VI of Roman Empire called the automatic fire a ball (consisting of quicklime and asphalt) which spontaneously ignited on coming in contact with water (Ref... 

AD Alexander VI of the Roman Empire called a ball of quicklime and asphalt automatic fire which spontaneously ignited on coming into contact with water. 

Eventually Pople embarked on developing ever improving approaches to non-empirical, called ab initio, computations. There is a tremendous literature about the plethora of his contributions that have remained essential in current research. Rather than surveying them, I would present a selection of his views based on a recording of... 

The tln-ee systems share a coimnon property 9, the numerical value of the tln-ee functions /, /p and/, which can be called the empirical temperature. The equations (A2.1.3) are equations of state for the various systems,... 

Microwaves from the waveguide are coupled into the resonator by means of a small coupling hole in the cavity wall, called the iris. An adjustable dielectric screw (usually machined from Teflon) with a metal tip adjacent to the iris pennits optimal impedance matching of the cavity to the waveguide for a variety of samples with different dielectric properties. With an appropriate iris setting the energy transmission into the cavity is a maximum and simultaneously reflections are minimized. The optimal adjustment of the iris screw depends on the nature of the sample and is found empirically. 

The earlier sections have only considered the way atoms are bonded to each other in a molecule (topology) and how this is translated into a computer-readable form. Chemists define this arrangement of the bonds as the constitution of a molecule. The example in Figure 2-39, Section 2.5.2.1, shows that molecules with a given empirical formula, e.g., C H O, can have several different structures, which are called isomers [lOOj. Isomeric structures can be divided into constitutional isomers and stereoisomers (see Figure 2-67). 

The Universal Force Field, UFF, is one of the so-called whole periodic table force fields. It was developed by A. Rappe, W Goddard III, and others. It is a set of simple functional forms and parameters used to model the structure, movement, and interaction of molecules containing any combination of elements in the periodic table. The parameters are defined empirically or by combining atomic parameters based on certain rules. Force constants and geometry parameters depend on hybridization considerations rather than individual values for every combination of atoms in a bond, angle, or dihedral. The equilibrium bond lengths were derived from a combination of atomic radii. The parameters [22, 23], including metal ions [24], were published in several papers. 

The second, third, and fourth corrections to [MPd/b-Jl lG(d,p)] are analogous to A (- -). The zero point energy has been discussed in detail (scale factor 0.8929 see Scott and Radom, 1996), leaving only HLC, called the higher level correction, a purely empirical correction added to make up for the practical necessity of basis set and Cl truncation. In effect, thermodynamic variables are calculated by methods described immediately below and HLC is adjusted to give the best fit to a selected group of experimental results presumed to be reliable. 

Much of quantum chemistry attempts to make more quantitative these aspects of chemists view of the periodic table and of atomic valence and structure. By starting from first principles and treating atomic and molecular states as solutions of a so-called Schrodinger equation, quantum chemistry seeks to determine what underlies the empirical quantum numbers, orbitals, the aufbau principle and the concept of valence used by spectroscopists and chemists, in some cases, even prior to the advent of quantum mechanics. 

Some 500 years ago during Columbuss second voyage to what are now the Americas he and his crew saw children playing with balls made from the latex of trees that grew there Later Joseph Priest ley called this material rubber to describe its ability to erase pencil marks by rubbing and in 1823 Charles Macintosh demonstrated how rubber could be used to make waterproof coats and shoes Shortly there after Michael Faraday determined an empirical for mula of CsHs for rubber It was eventually determined that rubber is a polymer of 2 methyl 1 3 butadiene... 

In 1825 Michael Faraday isolated a new hydrocarbon from illuminating gas which he called bicarburet of hydrogen Nine years later Eilhardt Mitscherlich of the University of Berlin prepared the same substance by heating benzoic acid with lime and found it to be a hydrocarbon having the empirical formula C H ... 

The structural unit associated with an electronic transition m UV VIS spectroscopy IS called a chromophore Chemists often refer to model compounds to help interpret UV VIS spectra An appropriate model is a simple compound of known structure that mcor porates the chromophore suspected of being present m the sample Because remote sub stituents do not affect Xmax of the chromophore a strong similarity between the spectrum of the model compound and that of the unknown can serve to identify the kind of rr electron system present m the sample There is a substantial body of data concerning the UV VIS spectra of a great many chromophores as well as empirical correlations of sub stituent effects on k Such data are helpful when using UV VIS spectroscopy as a tool for structure determination... 

These atomic orbitals, called Slater Type Orbitals (STOs), are a simplification of exact solutions of the Schrodinger equation for the hydrogen atom (or any one-electron atom, such as Li" ). Hyper-Chem uses Slater atomic orbitals to construct semi-empirical molecular orbitals. The complete set of Slater atomic orbitals is called the basis set. Core orbitals are assumed to be chemically inactive and are not treated explicitly. Core orbitals and the atomic nucleus form the atomic core. 

The developers of ZINDO found that the parameters required to reproduce orbital energy orderings and UV spectra are different from those required to reproduce accurate structures by geometry optimization. They introduced anew pair of parameters, called the overlap weighting factors, to account for this. These parameters are provided in HyperChem in the Semi-empirical Options dialog box. Their effect is to modify the resonance integrals for the off-diagonal elements of the Fock matrix. 

When m = 1.0, as in Fig. 2.5, the exponent becomes zero and the viscosity is independent of 7 when m = 0.7, a factor of 10 change in 7 results in a decrease of viscosity by a factor of 2. This is approximately the case for the data in Fig. 2.5 for 7 values between 10" and 10" sec". Equation (2.14) and its variations are called power laws. Relationships of this sort are valuable empirical tools for extrapolating either F/A or t over modest ranges of 7. In such an application, the exponent m - 1 and the proportionality constant are... 

In 1885 Balmer was able fo fif fhe discrete wavelengfhs X of part of fhe emission specfrum of fhe hydrogen atom, now called fhe Balmer series and illusfrafed in Figure 1.1, fo fhe empirical formula... 

---