It can be shown that (3x/3T)P = (a positive number) A7/ ) for all reactions. In the present example, AH° is positive (i.e., the reaction is endothermic). Therefore, an increase in temperature will increase x and, thus, the conversion to hydrogen and oxygen. [Pg.134]

Note that since A < 0, a p is a positive quantity. Note also tliat at far detunings equation (Cl.4.11) shows [Pg.2465]

The quantum internal energy (fi /2m )(VY ) /p depends also on the derivative of the density, unlike in the fluid case, in which internal energy is a function of the mass density only. However, in both cases the internal energy is a positive quantity. [Pg.162]

The point r is the position of a positive probe charge. is the nuclear charge on atom Alocated at position R. The function p(r ) is the electronic density. In the above equation, the first term represents the contribution of the nuclei to the electrostatic potential and the second term is the electronic contribution. Substituting the electron density expression [Pg.245]

By the inequality (2.252), valid for all functions % possessing the property XN > 0 in this definition of L is correct. Similar to (Landkof, 1966) the functional L can be extended on Co l,p)- The extended functional is linear and positive, and hence it is continuous. This implies that there exists a nonnegative measure p G such that for all (f G Co l,p) a [Pg.151]

HBr + H- H- + Br2 — HBr + Br. properties The characteristics of matter Examples vapor pressure color density temperature, protective oxide An oxide that protects a metal from oxidation. Example aluminum oxide, proton p A positively charged subatomic particle found in the nucleus of an atom, protonation Proton transfer to a Bronsted base. Example 2 H30+(aq) + S2-(s) — [Pg.1044]

Method of Undetermined Coejftcients If Q x) is a product or linear combination of products of the functions a, x p a positive [Pg.460]

Let K cV he a. convex closed subset of a reflexive Banach space V, I he a duality mapping, and P be a projection operator of V onto K. We are in a position to give a definition of a penalty operator. An operator (5 V V is called a penalty operator connected with the set K if the following conditions are fulfilled. Firstly, / is a monotonous bounded semicontinuous operator. Secondly, a kernel of / coincides with K, i.e. [Pg.37]

To return to the simple picture of vertical excitation, the question remains as to how a wavepacket can be simulated using classical trajectories A classical ensemble can be specified by its distribution in phase space, Pd(p,Q), which gives the probability of finding the system of particles with momentum p and position q. In conUast, it is strictly impossible to assign simultaneously a position and momentum to a quantum particle. [Pg.270]

In a second attempt to extend the scope of Lewis-acid catalysis of Diels-Alder reactions in water, we have used the Mannich reaction to convert a ketone-activated monodentate dienophile into a potentially chelating p-amino ketone. The Mannich reaction seemed ideally suited for the purpose of introducing a second coordination site on a temporary basis. This reaction adds a strongly Lewis-basic amino functionality on a position p to the ketone. Moreover, the Mannich reaction is usually a reversible process, which should allow removal of the auxiliary after the reaction. Furthermore, the reaction is compatible with the use of an aqueous medium. Some Mannich reactions have even been reported to benefit from the use of water ". Finally, Lewis-acid catalysis of Mannich-type reactions in mixtures of organic solvents and water has been reported ". Hence, if both addition of the auxiliary and the subsequent Diels-Alder reaction benefit from Lewis-acid catalysis, the possibility arises of merging these steps into a one-pot procedure. [Pg.114]

Streitwieser pointed out that the eorrelation whieh exists between relative rates of reaetion in deuterodeprotonation, nitration, and ehlorination, and equilibrium eonstants for protonation in hydrofluorie aeid amongst polynuelear hydroearbons (ef. 6.2.3) constitutes a relationship of the Hammett type. The standard reaetion is here the protonation equilibrium (for whieh p is unity by definition). For eon-venience he seleeted the i-position of naphthalene, rather than a position in benzene as the referenee position (for whieh o is zero by definition), and by this means was able to evaluate /) -values for the substitutions mentioned, and cr -values for positions in a number of hydroearbons. The p -values (for protonation equilibria, i for deuterodeprotonation, 0-47 for nitration, 0-26 and for ehlorination, 0-64) are taken to indieate how elosely the transition states of these reaetions resemble a cr-eomplex. [Pg.138]

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