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Energetic interaction energetically favorable

In the lowest optieally excited state of the molecule, we have one eleetron (ti ) and one hole (/i ), each with spin 1/2 which couple through the Coulomb interaetion and can either form a singlet 5 state (5 = 0), or a triplet T state (S = 1). Since the electric dipole matrix element for optical transitions — ep A)/(me) does not depend on spin, there is a strong spin seleetion rule (AS = 0) for optical electric dipole transitions. This strong spin seleetion rule arises from the very weak spin-orbit interaction for carbon. Thus, to turn on electric dipole transitions, appropriate odd-parity vibrational modes must be admixed with the initial and (or) final electronic states, so that the w eak absorption below 2.5 eV involves optical transitions between appropriate vibronic levels. These vibronic levels are energetically favored by virtue... [Pg.49]

Hydrophilic hydration signifies that a strong energetically favored direct interaction exists between dissolved polar or ionic particle and the surrounding water molecules by ion-dipole-, dipole-dipole-interactions and/or hydrogen bonds. [Pg.4]

In the linear konjac mannan, the degree of acetylation profoundly affects the solubility and flow properties of this hydrocolloid. The acetyl substitution prevents self-association of the mannan chains, but following deacetylation chain interactions become more energetically favorable [230]. [Pg.30]

The interaction of drug molecules with biological membranes is a three-dimensional (3D) recognition that is mediated by surface properties such as shape, Van der Waals forces, electrostatics, hydrogen bonding, and hydrophobicity. Therefore, the GRID force field [5-7], which is able to calculate energetically favorable interaction sites around a molecule, was selected to produce 3D molecular interaction fields. [Pg.408]

This, however, is not the only way multilayers of polymers can be formed. If the macromolecule is a compactly folded copolymer, such as a protein, its collapsed state will be determined by internal compensation of energetically favorable interactions. [Pg.162]

FIGURE 3.6 Some types of orbital overlap that lead to energetically favorable interactions. [Pg.77]

The energetically favorable conformations of model alkyl nitronate (88) and related compounds (89 to 91) (283) were determined by the B3LYP/6-31G(d) method (see Chart 3.9). It appeared that the marked conformations with the minimized dipole moments are energetically most favorable for compounds (88-91) (the use of the dipole-dipole interaction model in conformational analysis was also described in the publication (284)). Calculations including n-n interactions (see Fig. 3.1) did not change this situation because the contribution of this effect is equal in magnitude for both limiting conformations shown in Chart 3.9. [Pg.507]


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See also in sourсe #XX -- [ Pg.38 ]




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Energetic favorability

Energetic interaction

Favorable interactions

Favored

GRID energetically favorable interaction

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