Potential curves for

Figure Bl.1.1. (a) Potential curves for two states with little or no difference in the equilibrium position of tire upper and lower states. A ttansition of O2, witli displacement only 0.02 A, is shown as an example. Data taken from [11]. Most of the mtensity is in the 0-0 vibrational band with a small intensity in the 1-0 band, (b) Potential curves for two states with a large difference in the equilibrium position of the two states. A ttansition in I2, with a displacement of 0.36 A, is shown as an example. Many vibrational peaks are observed.

Figure 6. Bending potential curves for the X Ai, A B electronic system of BH2 [33,34], Full hotizontal lines K —Q vibronic levels dashed lines /f — I levels dash-dotted lines K — 2 levels dotted lines K — 3 levels. Vibronic levels of the lower electronic state are assigned in benf notation, those of the upper state in linear notation (see text). Zero on the energy scale corresponds to the energy of the lowest vibronic level.

Figire 7. Betiding potential curves for the A A electronic system of NH2 [25], Full... 

Vo + V2 and = Vo — 2 (actually, effective operators acting onto functions of p and < )), conesponding to the zeroth-order vibronic functions of the form cos(0 —4>) and sin(0 —(()), respectively. PL-H computed the vibronic spectrum of NH2 by carrying out some additional transformations (they found it to be convenient to take the unperturbed situation to be one in which the bending potential coincided with that of the upper electi onic state, which was supposed to be linear) and simplifications (the potential curve for the lower adiabatic electi onic state was assumed to be of quartic order in p, the vibronic wave functions for the upper electronic state were assumed to be represented by sums and differences of pairs of the basis functions with the same quantum number u and / = A) to keep the problem tiactable by means of simple perturbation... 

This difference is shown in the next illustration which presents the qualitative form of a potential curve for a diatomic molecule for both a molecular mechanics method (like AMBER) or a semi-empirical method (like AMI). At large internuclear distances, the differences between the two methods are obvious. With AMI, the molecule properly dissociates into atoms, while the AMBERpoten-tial continues to rise. However, in explorations of the potential curve only around the minimum, results from the two methods might be rather similar. Indeed, it is quite possible that AMBER will give more accurate structural results than AMI. This is due to the closer link between experimental data and computed results of molecular mechanics calculations. 

Promotion of an electron in Hc2 from the (7 15 to a bonding orbital produces some bound states of the molecule of which several have been characterized in emission spectroscopy. For example, the configuration ((J l5 ) ((7 l5 ) ((7 25 ) gives rise to the 2i and bound states. Figure 7.24(a) shows the form of the potential curve for the state. The A-X transition is allowed and gives rise to an intense continuum in emission between 60 nm and 100 nm. This is used as a far-ultraviolet continuum source (see Section 3.4.5) as are the corresponding continua from other noble gas diatomic molecules. 

Fig. 2-4 Current-density-potential curves for an electrochemical partial reaction as in Eq. (2-35).

Figure 2-11 shows weight loss rate-potential curves for aluminum in neutral saline solution under cathodic protection [36,39]. Aluminum and its alloys are passive in neutral waters but can suffer pitting corrosion in the presence of chloride ions which can be prevented by cathodic protection [10, 40-42]. In alkaline media which arise by cathodic polarization according to Eq. (2-19), the passivating oxide films are soluble ... 

The validity of Eq. (3-15) further follows from the results given in Fig. 3-4. It represents the current-potential curve for a buried storage tank. The difference f/ n - I/off is proportional to the current /. The quotient R is equal to the grounding resistance of the tank. The (/) curve corresponds to the true polarization curve. 

Fig. 21-11 Current density-potential curves for plain carbon steel in hot caustic soda from Refs. 28-31.

Fig. 19.44 Typical current vs. potential curves for alloys of various phase combinations (after...

Fig. 20.9 Experimental capacitance-potential curve for O-OOI m KCl and calculated curve using the Gouy-Chapman model. The experimental curve and the theoretical curve agree at potentials (us R.H.E.) near the p.z.c. Note the constant capacitance of 17 x 10 F m at negative potentials (after Bockris and Drazic )...

Now consider the case of two substances forming a homogeneous solution, say water and an anhydrous salt (NaCl), and let us draw the potential curve for an assigned temperature and... 

FIGURE 1-7 Current-potential curve for the system O + ne - " R, assuming that electron-transfer is rate limiting, C0 = CR, and a = 0.5. Hie dotted lines show the cathodic ((.) and anodic ( ) components. 

Figure 4-12 Current-potential curve for a platinum electrode in 0.5 M H2S04. Regions of oxide formation (QJ and reduction (Qc) as well as formation, of hydrogen (Hc) and its oxidation (H,) are indicated. (Reproduced with permission from reference 33.)...

Figure 3. Current vs. potential curve for iron dissolution in phosphoric acid solution at pH 1,85. Ep, Flade potential Ep, passivation potential Epii- critical pitting potential EiP, transpassivation potential. Solid and broken lines correspond to the cases without and with CF ions, respectively.

Figure 19. PMC potential and photocurrent-potential curves for an Si-MOS device (2 nm Si02) at different photon flux densities (indicated for photocurrents).

Figure 21. (a) PMC potential and (b) cathodic photocurrent-potential curves for a p-Si (111) electrode (resistivity, 10 ft cm). Electrolyte, 1 M NH4F light intensity 1 mW cm-2. Sweep toward negative potentials. 

Figure 29. PMC potential and photocurrent-potential curves for n-Si in contact with 0.6 M NH4F. The flatband potential Up, is indicated.

Figure 30. (a)Measured PMC-potential and / -potential curves for n-Si in contact with a 0.2 M NH4F solution and (b) in kr and Apf values calculated as a function of electrode potential. 

Figure 41. PMC potential curves for a ZnO single crystal measured in contact with propylene carbonate (0.1 M TRAP) containing 10 mM ferrocene (curve 1), and with increasing concentrations (5,10, and 20%) of water (curves 2-4). Illumination with He-Cd U V laser. 5 mW.

Bagotskaya and the integration of capacitance-potential curves for the determination of surface charges, 45 Bai and Conway, discussion of bubbles, 529 Band... 

Crystal surface specificity of the potential of zero charge, 152 Current-potential curves for bipolar membranes, 228 of iron dissolution in phosphoric acid,... 

The technique of measuring the 0+ kinetic energy distribution produced by reaction of He + and 02 showed promise for establishing the existence of HeO+. Experiments with He3 and He4 isotopes and 02 were carried out in the ion source of a mass spectrometer. Retarding potential curves for O + in the two systems were determined, and the com-... 

Fig. 2.—Potential curve for H + H+ or H+ + H (dashed line) and for H-H+ (lower full line). The upper full line corresponds to the nuclear-antisymmetric repulsive state.

Fig. 3.—Potential curves for BjH . The two dashed lines are potential curves for the structures B2H + H and B Hi + H+, the lower full line that for the normal BjH molecule and the upper one that for an excited state of the molecule.

Fig. 4. Differential capacitance-potential curves for various concentrations of aniline in 1-0 M aqueous potassium chloride and at a mercury electrode-frequency 400 Hz.

Fig. 9. Capacitance-potential curves for a number of common electrochemical solvents containing O lM potassium hexafluorophosphate, a relatively non-adsorbing electrolyte. (From Payne 1967, 1970.)...

A computational method which is suitable for studies of this nature should fulfill certain basic requirements (a) it should be sufficiently economical to allow computation of full potential-energy curves for comparatively large number of states, (b) the calculated potential curves for bound states should give rise to vibrational and rotational constants which are in reasonable agreement with experiment when a comparison is possible, (c) the calculated total energies of all the states should be of comparable accuracy, and (d) the ordering of the states should be correct. 

There followed, after the initial study of imidogen (42), papers on boron carbide (43), nitric oxide and its ions (44), as well as fluoronitride and its cation (45). Results from these calculations are still useful since they offer mutually consistent representations of potential curves for a considerable number of states. This successful campaign was furthermore beneficial to the development at Aarhus since several Danes were given the opportunity to participate in the work and to learn to appreciate Yngve s way of scientific quest. 

Figure 6. Potential curves for ethylene cation radical (full line) and ethylene anion radical (dashed line) calculated (68) by the method of Longuet-Higgins and Pople within the standard CNDO/2 approximation. The scale on the left-hand side concerns the total energy of the cation radical the scale on the right-hand side concerns the total energy of the anion radical.

II. Calculated current density and stoichiometry vs. deposition potential curves for parameter values representative of CdTe and with one partial current density diffusion limited. J Electrochem Soc 132 2910-2919... 

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