Potential-energy curve, for hydrogen molecule

Figure 3.2 Potential energy curve for hydrogen molecule-ion...

Fig. 6.—Potential energy curves for hydrogen molecules. The electron-pair halide molecules. bond structures H F , etc., are...

As it is done in Figure 1.2.1 for molecular hydrogen, it is possible to construct potential energy curves for different molecules. If the molecules consist of several atoms, this becomes a very complicated problem, but the general shape of the potential energy curves remains similar to that for molecular hydrogen. 

This mechanism has been disputed,primarily because Clyne and Thompson assumed that no recombination barrier occurred on the a A" surface. A more recent theoretical study of the potential energy curves for the molecule demonstrates the existence of potential barriers for both the a A" and A" surfaces, but the predicted barriers are low enough, 3.7 kcal/mol and 7.8 kcal/mol, for hydrogen recombination to occur thermally.These Cl calculations of the potential energy surfaces, however, used SCF energy-optimized structures of the ground electronic state for all three of the low-lying curves. 

Kolos W and Wolniewicz L 1965 Potential energy curves for the X H. and Cn states of the hydrogen molecule J. Chem. Phys. 43 2429-41... 

It might be supposed that, since the potential energy curve for V2 is of a similar shape to that in Figure 6.38(a), if we excite the molecule with sufficiently high energy it will eventually dissociate, losing six hydrogen atoms in the process ... 

Fig. 6-3S. Potential energy curves for water adsorption on metal surface in the states of molecules and hydrozjd radicals c = energy r = reaction coordinate solid curve = adsorption as water molecules and as partially dissociated hydroxj4 and hydrogen radicals broken curve = adsorption of completely dissociated oxygen and hydrogen radicals.

Figure 1.2 Potential energy curves for the approach of a hydrogen molecule and of two hydrogen atoms to a metal surface E is the activation energy — AH is the heat of adsorption subscripts p and c are, respectively, physical adsorption and chemisorption.

Kolos W, Wolniewicz L (1966) Potential-energy curve for the B1 Ylt state °f (he hydrogen molecule. J Chem Phys 45 509-514... 

Occasionally, potential energy curves for bond stretching vibrations can be unusually flat as well. One special case is of particular importance in hydrogen-bonded complexes. At infinite intermolecular distance two states are possible in which the proton is either bound to molecule A or to molecule B. The two states are related by a proton transfer process ... 

Figure 2 Schematic potential energy curve for the hydrogen molecules with scale at bottom of the curve exaggerated to show relation between n = 0 vibrational energy levels of the four isotopic forms of the molecules. Note that molecules containing a heavy isotope are more stable (have higher dissociation energies) than molecules with a light isotope. Isotope fractionations between molecules are explained by differences in their zero-point energies...

Figure 4. Potential energy curves for the hydrogen molecule...

Fig. 4 Potential energy curves for the hydrogen molecule obtained from (a) the Hartree-Fock function [96], (b) the ODC multiconfiguration self-consistent field flmction, (c) the generalized Coulson-Fischer function [77] and (d) the extended James-CooUdge flmction of Krfos and...

Fig. 4. Potential energy curve for the ground state of the hydrogen molecule obtained by Kolos and Roo-thaan (Rev. Mod. Phys., 32, 169) (1960) using the Hartree-Fock approximation together with some energy values obtained by performing matrix Hartree-Fock calculations with a universal b set of elliptical functions.

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