Two dimensional screen

The graphics Interaction section of MOLMEC contains routines capable of rotating and aligning the molecule into any desired position. Since the graphics unit is a two-dimensional screen, rotation is essential to obtain a good view of the structure. Furthermore, these routines are useful in locating atoms trapped in local minima. If such an atom Is found, the user can move the trapped atom to a new position by a MOVE routine found in the graphics section. 

Murray CA, Winkle DHV (1987) Experimental observation of two-stage melting in a classical two-dimensional screened Coulomb system. Phys Rev Lett 58 1200... 

A two-dimensional slice may be taken either parallel to one of the principal co-ordinate planes (X-Y, X-Z and Y-Z) selected from a menu, or in any arbitrary orientation defined on screen by the user. Once a slice through the data has been taken, and displayed on the screen, a number of tools are available to assist the operator with making measurements of indications. These tools allow measurement of distance between two points, calculation of 6dB or maximum amplitude length of a flaw, plotting of a 6dB contour, and textual aimotation of the view. Figure 11 shows 6dB sizing and annotation applied to a lack of fusion example. 

Several research groups have built models using theoretical desaiptors calculated only from the molecular structure. This approach has been proven to be particularly successful for the prediction of solubility without the need for descriptors of experimental data. Thus, it is also suitable for virtual data screening and library design. The descriptors include 2D (two-dimensional, or topological) descriptors, and 3D (three-dimensional, or geometric) descriptors, as well as electronic descriptors. 

HyperChem allows the visualization of two-dimensional contour plots for a certain number of variables, fh esc contour plots show the values of a spatial variable (a property f(x,y,z) in normal th rce-dimensional Cartesian space ) on a plane that is parallel to the screen. To obtain these contour plots the user needs to specify ... 

Texturing. The final step in olefin fiber production is texturing the method depends primarily on the appHcation. For carpet and upholstery, the fiber is usually bulked, a procedure in which fiber is deformed by hot air or steam jet turbulence in a no22le and deposited on a moving screen to cool. The fiber takes on a three-dimensional crimp that aids in developing bulk and coverage in the final fabric. Stuffer box crimping, a process in which heated tow is overfed into a restricted oudet box, imparts a two-dimensional sawtooth crimp commonly found in olefin staple used in carded nonwovens and upholstery yams. 

The actual computation is broken down into two steps (1) A Collision Step, during which the value of a site is sent to a computation look-up table, with its input written to the display screen memory as in CAM-6. RAPl s screen memory consists of 16 256 x 512 planes, (2) A Propagation Step, during which the system is decomposed into a set of one-bit two-dimensional planes (one plane for each bit of each site), and the bits of each site are displaced to one of the site s neighbors by a translation of the entire plane. 

Fig. 1. Schematic diagram of the multimass ion imaging detection system. (1) Pulsed nozzle (2) skimmers (3) molecular beam (4) photolysis laser beam (5) VUV laser beam, which is perpendicular to the plane of this figure (6) ion extraction plate floated on V0 with pulsed voltage variable from 3000 to 4600 V (7) ion extraction plate with voltage Va (8) outer concentric cylindrical electrode (9) inner concentric cylindrical electrode (10) simulation ion trajectory of m/e = 16 (11) simulation ion trajectory of rri/e = 14 (12) simulation ion trajectory of m/e = 12 (13) 30 (im diameter tungsten wire (14) 8 x 10cm metal mesh with voltage V0] (15) sstack multichannel plates and phosphor screen. In the two-dimensional detector, the V-axis is the mass axis, and V-axis (perpendicular to the plane of this figure) is the velocity axis (16) CCD camera.

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