Fitting angled

In 1970, Bender and Schaefer " reported afc initio computations of triplet methylene. Employing the CISD/DZ method, they computed the energy of triplet methylene at 48 different geometries, varying the C-H distance and H-C-H angle. Fitting this surface to a quadratic function, they predicted that the H-C-H angle is 135.1°, and emphatically concluded that the molecule is not linear. 

From vibrational or microwave spectroscopy it is possible to obtain the curvature at the bottom of each well. Ignoring mixing with other structural elements, this corresponds to the second derivative of the energy with respect to the torsional angle, Fitting to this observable may require either sacri-... 

Earthquake Swarms, Fig. 4 Distribution of the earthquake swarms in the main focal area of W-Bohemia/ Vogtland and typical source mechanisms in the individual swarms. The section along the strike is depicted on the right, the cross-section is on the l. It is obvious that the focal area consists of a few shorter faults. All but one source mechanisms are pure shears the DC angles fit the geometry of the corresponding fault segments. The... 

There is no reason why the distortion parameter should not contain an entropy as well as an energy component, and one may therefore write 0 = 0q-sT. The entropy of adsorption, relative to bulk liquid, becomes A5fi = sexp(-ca). A critical temperature is now implied, Tc = 0o/s, at which the contact angle goes to zero [151]. For example, Tc was calculated to be 174°C by fitting adsorption and contact angle data for the -octane-PTFE system. 

Si /Si 2p peak areas as a fiinction of take-off angle. The solid line is a fit which corresponds to an oxide thickness of 2.0 mn (from [12]). 

Figure Bl.26.17. (a) Observed and calculated ellipsometric [A(1), T(>l)] spectra for the Y2O3 film on vitreous silica. Angle of incidence 75°. (b) Best-fit model of the Y2O3 film on vitreous silica (Chindaudom P and Vedam K 1994 Physics of Thin Films vol 19, ed K Vedam (New York Academic) p 191).

Figure Cl.5.14. Fluorescence images of tliree different single molecules observed under the imaging conditions of figure Cl.5.13. The observed dipole emission patterns (left column) are indicative of the 3D orientation of each molecule. The right-hand column shows the calculated fit to each observed intensity pattern. Molecules 1, 2 and 3 are found to have polar angles of (0,( ))=(4.5°,-24.6°), (-5.3°,51.6°) and (85.4°,-3.9°), respectively. Reprinted with pennission from Bartko and Dickson [148]. Copyright 1999 American Chemical Society.

A very suitable apparatus for semi-micro steam-distillation, particularly for suspensions that are likely to bump badly, is showm in Fig. 44. This consists of a 50 ml. Kjeldahl flask, clamped at an angle of 45°, and fitted with a long glass tube for the inlet of steam. The Outlet-tube is bent twice, first at 135° and then at 45° as shown, and fitted into a small water-condenser. 

Alternatively, a flask (capacity one litre or more), fitted with a two-holed cork carrying a long safety tube and a short right-angled bend, may be used. A large distilling flask will serve the same purpose. 

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