Ideas of Quantum Chemistry P89 shows how quantum mechanics is applied to chemistry to give it a theoretical foundation. The structure of the book (a TREE-form) emphasizes the logical relationships between various topics, facts and methods. It shows the reader which parts of the text are needed for understanding specific aspects of the subject matter. Interspersed throughout the text are short biographies of key scientists and their contributions to the development of the field. | 846 14. Intermolecular Motion of Electrons and Nuclei Chemical Reactions . Shaik What Happens to Molecules as They React Valence Bond Approach to Reactivity Journal of the American Chemical Society 103 1981 3692. An excellent paper that introduces many important concepts in a simple way. Questions 1. The intrinsic reaction coordinate means a a trajectory of an atom when the reaction proceeds b the steepest descent path in the Cartesian space of the nuclear coordinates c the steepest descent path from a saddle point in the Cartesian space of the mass-weighted nuclear coordinates d a straight line in the Cartesian space of 3N 6 coordinates that connects the minima of the two basins. 2. In the vibrationally adiabatic approximation reaction path Hamiltonian method with all the normal modes in their ground states a the potential energy does not depend on the normal mode frequencies b the zero-vibrations depend on the reaction path coordinate s c the normal modes may exchange energy d the oscillators may exchange energy with the reaction path degree of freedom. 3. An endothermic reaction proceeds spontaneously T 0 because a the drain-pipe bottom potential energy plus the energies of the normal modes is lower in the entrance than in the exit channel b the oscillators are anharmonic c the drain-pipe bottom potential energy in the entrance channel is lower than that in the exit channel d the exit channel is wider than the entrance channel. 4. Donating mode a couples with the reaction path in the entrance channel b increases the reaction barrier c corresponds to high Coriolis couplings with other modes d corresponds to the lowest zero-vibration energy in the entrance channel. 5. In the acceptor-donor picture at the intermediate reaction stage I the following structures prevail a DA b D A and D2 A2 c D A and D A d DA and D A . 6. In the acceptor-donor picture at the product reaction stage P the following structures prevail a DA b D A D2 A2 and D A c D A d DA and D A . 7. .
