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ISBN-10: 0470143584

ISBN-13: 9780470143582

ISBN-10: 0470400676

ISBN-13: 9780470400678

The Advances in Chemical Physics sequence presents the chemical physics and actual chemistry fields with a discussion board for severe, authoritative reviews of advances in each region of the self-discipline. packed with state-of-the-art examine pronounced in a cohesive demeanour now not came upon in other places within the literature, each one quantity of the Advances in Chemical Physics sequence serves because the excellent complement to any complex graduate classification dedicated to the research of chemical physics.

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Llg Aono12’ suggests that charge transfers are very important in the interactions between conjugate double-bond molecules. 51 NATURE OF INTERMOLECULAR FORCES The probability of transitions from one potential energy curve to another"*34 has been discussed in Section 11. D. Very Small Separations In the region of very small separations, perturbation techniques can again be used to good advantage. However, the zeroth-order wave function corresponds to the united atom and the resulting treatment does not properly belong in the realm of intermolecular forces.

VI. THE HELLMANN-FEYNMAN THEOREM Hellrnannlz3 and FeynmanlZ4have shown that (except for the small forces which arise from the deviations from the Born-Oppenheimer separation and magnetic or relativistic effects) the quantum mechanical forces on the nuclei of a molecule are just exactly the classical electrostatic coulombic forces which result from the charges on the nuclei interacting with the charge density of the electron cloud. Berlin"' dramatized this result by making a diagram showing the regions in which an increment of the electron cloud helps to draw the nuclei of a diatomic molecule together, in contrast to other regions where it would tend to pull the nuclei apart.

Collisions between like atoms. d. The Second-Order Energy. The second-order energy for resonant interactions of two like atoms has the same form as for nonresonant interactions (since the cross terms vanish because of selection rules). However, the induction energy is given by 42 J. 0. HIRSCHFELDER AND W. J. MEATH and the dispersion energy is given by e. Resonance within One Molecule. Some atoms or molecules have degenerate states which are separated by the perturbation produced by a second different molecule.

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Advances in Chemical Physics: Intermolecular Forces, Volume 12


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