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Hydrogen bonds potential energy diagram

Figure 3. Contour diagram of the base stacking potential energy Kg of sequential adenine bases and the hydrogen bonding potential energy VHB of the complementary A T base pairs as a function of the phosphodiester rotation angles Figure 3. Contour diagram of the base stacking potential energy Kg of sequential adenine bases and the hydrogen bonding potential energy VHB of the complementary A T base pairs as a function of the phosphodiester rotation angles </ and m. The energy contours enclose conformations within 4 kcal/mol of the minima marked by (- -) for and (X) for V . The dotted contour of h = 0 A divides the space into fields according to chirality.
FIGURE 3 4 Potential energy diagram for rotation about the carbon-carbon bond in ethane Two of the hydrogens are shown in red and four in green so as to indicate more clearly the bond rotation... [Pg.107]

Figure 6.38. Potential energy diagram for the hydrogenation of ethylene to the ethyl (C2H5) intermediate on a palladium(m) surface. The zero of energy has been set at that of an adsorbed H atom, (a) Situation at low coverage ethylene adsorbed in the relatively stable di-cr bonded mode, in which the two carbon atoms bind to two metal atoms. In the three-centered transition state, hydrogen and carbon bind to the same metal atom, which leads to a considerable increase in the energy... Figure 6.38. Potential energy diagram for the hydrogenation of ethylene to the ethyl (C2H5) intermediate on a palladium(m) surface. The zero of energy has been set at that of an adsorbed H atom, (a) Situation at low coverage ethylene adsorbed in the relatively stable di-cr bonded mode, in which the two carbon atoms bind to two metal atoms. In the three-centered transition state, hydrogen and carbon bind to the same metal atom, which leads to a considerable increase in the energy...
Fig. S.Potential energy diagrams of O—O hydrogen bonds and their associated H and 2H (D) NMR chemical shift differences, Ad... Fig. S.Potential energy diagrams of O—O hydrogen bonds and their associated H and 2H (D) NMR chemical shift differences, Ad...
Isotopic redistribution of HFAA with Bu OH/Bu OD in acetonitrile was measured and the concentrations determined spectroscopically at 2650-3000 nm120). A value of , 0.53, for the hydrogen bonding proton of HFAA was obtained. The potential energy diagram matching this is shown in Fig. 10. [Pg.178]

Figure 15.1 Anharmonic coupling ofthe O-H stretching mode q and a low-frequency hydrogen bond (0...0) mode Q. (a) Potential energy diagram for the low-frequency mode in a single hydrogen bond. The potential energy surfaces as defined by the stretching mode and the quantum levels ofthe low-frequency mode are plotted for the Voh = 0 and 1 states as a function of the slow-mode coordinate Q. Figure 15.1 Anharmonic coupling ofthe O-H stretching mode q and a low-frequency hydrogen bond (0...0) mode Q. (a) Potential energy diagram for the low-frequency mode in a single hydrogen bond. The potential energy surfaces as defined by the stretching mode and the quantum levels ofthe low-frequency mode are plotted for the Voh = 0 and 1 states as a function of the slow-mode coordinate Q.
Intermediate (Sections 3.1, 6.10, and 6.11) A transient species that exists between reactants and products in a state corresponding to a local energy minimum on a potential energy diagram. Intermolecular forces (Sections 2.13B and 2.13F) Also known as van der Waals forces. Forces that act between molecules because of permanent (or temporary) electron distributions. Intermolecular forces can be attractive or repulsive. Dipole-dipole forces (including hydrogen bonds) and dispersion forces (also called London forces), are intermolecular forces of the van der Waal type. [Pg.1185]

Fig. 1.11. Potential energy diagram for the hydrogen molecule ion in bonding and antibonding states... Fig. 1.11. Potential energy diagram for the hydrogen molecule ion in bonding and antibonding states...

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Bond potential

Bonding potentials

Energy bond potential

Energy diagrams

Hydrogen bond energy

Hydrogen bond potential

Hydrogen bonding bond energies

Hydrogen bonding energies

Hydrogen diagrammed

Hydrogen energy

Hydrogen potential

Hydrogen potential energy diagram

Hydrogen-bonding potentials

Hydrogenation energies

Potential diagram

Potential energy diagrams

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