Line representation

Figure A3.13.il. Illustration of the time evolution of redueed two-dimensional probability densities I I and I I for the exeitation of CHD between 50 and 70 fs (see [154] for further details). The full eurve is a eut of tire potential energy surfaee at the momentary absorbed energy eorresponding to 3000 em during the entire time interval shown here (as6000 em, if zero point energy is ineluded). The dashed eurves show the energy uneertainty of the time-dependent wave paeket, approximately 500 em Left-hand side exeitation along the v-axis (see figure A3.13.5). The vertieal axis in the two-dimensional eontour line representations is...

Figure B3.5.1. Contour line representation of a quadratic surface and part of a steepest descent path zigzagging toward the minimum.

A SMILES code [22], MDL Molfile [50], or JME s own compact format (one-line representation of a molecule or reaction including the 2D coordinates) of created molecules may be generated. The created SMILES is independent of the way the molecule was drawn (unique SMILES see Section 2.3.3). Extensions to JME developed in cooperation with H. Rzepa and P. Murray-Rust also allow output of molecules in the CML format [60]. 

Expand the following bond line representations to show all the... 

There are many ways of representing molecules on screen, and most modelling packages will have a selection. The screen grab in Figure 1.14 shows the line representation of aspirin. Figures 1.15 to 1.17 give a few of the options from WebLab Viewer. 

Different methods have been devised to represent proteins. A structure for porcine pancreatic procolipase is reported in the Protein Databank, as determined by NMR spectroscopy. Many such structures are reported without the hydrogen atoms, since their positions often cannot be determined experimentally. Most MM packages will add hydrogens. Figure 1.18 gives the hydrogen-free procolipase structure in line representation. 

Figure 4-227. Magnetic flux-lines representation in a highly permeable iron alloy core.

Fig. 10. Relation between amphiphilic nature and orientation of crystal lattice and guest. Hydrophilic and hydrophobic interactions are indicated by circles in dotted and non-interrupted style of line representation, respectively...

Since ()area under the vertical line representation for PF is unity, as required by equation 13.3-1. 

Chemical bonds are classified into two groups transfer of electrons creates an ionic bond while the sharing of electrons leads to a covalent bond. Before studying chemical bonds we need to become familiar with their representation. Chemical bonds may be represented in several ways. We are going to study orbital representation, electron dot representation and line representation. Let s examine these three types using the example of the fluorine molecule, F2. 

Bond structure can also be represented by lines. Each electron pair is shown by a line. In other words two electrons are shown by a line So the line representation of the fluorine molecule is IF—FI. The line between the two fluorine atoms represents the bond. Sometimes both the Lewis symbol and line representation can be used in the same molecule. For example, the F2 molecule can also be represented as F— F ... 

Show the bond structure of the nitrogen molecule by using an orbital diagram, electron dot structure and line representation. 

Show the bond structure of the oxygen molecule by using orbital, electron dot and line representations. 

Line representation Each line represents one bond or a lone pair of electrons. 

Draw a schematic (line) representation of the pure first-order spectrum (AMX) corresponding to the following parameters ... 

Table 1 shows an example of markup, generated using the OSCAR 3 system. The abstract of a polymer research paper has been parsed by OSCAR and the resulting markup for the first sentence of the abstract is shown in-line with the text (Table IB). The first chemical entity encountered in the sentence is oleic acid , which has been marked up as type = CM (Chemical Moiety) and a number of other annotations, such as in-line representations of chemical structure (InChl, SMILES) have been attached. 

Fa48] I. Fary, On straight-line representation of planar graphs, Acta Urdu Szeged. Sect. ScL Math. 11 (1948) 229-233. 

Fig. 4. Line representations of zeolite structure (a) sodalite cage, or truncated octahedron (b) type A zeolite unit cell (c) unit cell of types X and Y, or faujasite (d) cation sites in type A (there are 8 1,3 II, and 12 III sites per unit cell) (e) cation sites in types X and Y (161,32 Y, 32 II, 32 IT, 48 III, and 32 IIT, sites per unit cell).

Figure 3 Crystal structure (PDB entry lhpv) of the HIV-1 protease inhibitor VX-478 (solid surface) bound in the active site of the enzyme (line representation). (Ref. 60.)...

Figure 9 The scheme of heat supply system in a double-line representation 1,...

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