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I he electron density distribution of individual molecular orbitals may also be determined and plotted. The highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) are often of particular interest as these are the orbitals most cimimonly involved in chemical reactions. As an illustration, the HOMO and LUMO for Jonnamide are displayed in Figures 2.12 and 2.13 (colour plate section) as surface pictures. [Pg.99]

SpartanView can display atom motions that occur during a conformational change or chemical reaction... [Pg.1273]

The use of graphic displays as an essential element of computer-based instmctional systems has been exploited in a number of ways. Molecular modeling and visualization techniques have supplemented the traditional set of stick models in courses on organic and inorganic chemistry, and animation of molecular motion and of the progress or mechanism of chemical reactions has been a useful classroom tool. [Pg.63]

SpartanView is able to handle collections of molecules The most common use will be to provide animater displays of molecules, e.g., undergoing conformationa change or chemical reaction. A more mundane use wil simply be to present molecule data in a compact manner as only one molecule at a time from the collection may bi displayed on screen. Molecules in collections may no... [Pg.10]

The initial set of experiments and the first few textbook chapters lay down a foundation for the course. The elements of scientific activity are immediately displayed, including the role of uncertainty. The atomic theory, the nature of matter in its various phases, and the mole concept are developed. Then an extended section of the course is devoted to the extraction of important chemical principles from relevant laboratory experience. The principles considered include energy, rate and equilibrium characteristics of chemical reactions, chemical periodicity, and chemical bonding in gases, liquids, and solids. The course concludes with several chapters of descriptive chemistry in which the applicability and worth of the chemical principles developed earlier are seen again and again. [Pg.482]

Apart from the three broad categories of student conceptions discussed above, students displayed several inappropriate conceptions relating to the stractural properties of substances. For example, 14% of students suggested that Mg + ions were present in magnesium ribbon. A second example involved the chemical reaction between copper(II) oxide powder and dilute sulphuric acid. In this instance, 25% of students suggested that Cu + ions were present only in aqueous solution but not in the solid and liquid states. This view was rather unexpected because students had earlier been introdnced to ionic and covalent compounds. It is likely that students had merely rote-learned the general rale without sufficient understanding that ionic solids are formed between metallic and non-metallic elements. [Pg.164]

The knowledge that allows chemists to describe, interpret, and predict the behavior of chemical substances is gained by making careful experimental measurements. The properties of a sample can be divided into physical properties, which can be measured without observing a chemical reaction, and chemical properties, which are displayed only during a chemical transformation. Physical properties include familiar attributes such as size, color, and mass. Some chemical properties also are familiar to us. As examples, bleach reacts chemically with many colored substances to destroy their colors, and molecular oxygen reacts chemically with many fuels to generate heat. [Pg.27]

This simple example illustrates two important features of stirred tanks (1) the concentration of dissolved species is uniform throughout the tank, and (2) the concentration of these species in the exit stream is identical to their concentration in the tank. Note that a consequence of the well-stirred behavior of this model is that there is a step change in solute concentration from the inlet to the tank, as shown in the concentration profile in Figure 2. Such idealized behavior cannot be achieved in real stirred vessels even the most enthusiastically stirred will not display this step change, but rather a smoother transition from inlet to tank concentration. It should also be noted that stirred tank models can be used when chemical reactions occur within the tank, as might occur in a flow-through reaction vessel, although these do not occur in the simple dye dilution example. [Pg.24]

Titrimetry Chemical reaction Equivalence point Volume Voltage Pen recorder, display Titration curve ... [Pg.72]

Experimental data suggest that VN stimuli might also play a relevant role in prey-predator interactions by mediating affective responses to prey or predator chemical cues. For instance, one of the preferred prey for the snake Thamnophis sirtalis is earthworms. Halpern (1988) demonstrated that earthworm wash constitutes a VN stimulus that is rewarding for these snakes. On the other hand, it has been shown that rats display defensive reactions to a collar that has been worn by a cat, even if they have no previous experience with cats. For these defensive behavioral responses to occur, direct contact with the collar is needed (Dielenberg and McGregor 2001). [Pg.268]


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