And intermolecular energies

Reinhardt P, Piquemal J-P, Savin A (2008) Fragment-localized Kohn-Sham orbitals via a Singles-CI procedure and application to local properties and intermolecular energy decomposition analysis. J Chem Theory Comput 4 2020... 

Intra and Intermolecular Energy Transfer in Thermal Dissociation in the Gas and Liquid N2O4... 

Figure 5.6 Factors determining a SAM structure solid circles, (a) Cooperative case. Molecular illustrated by the mutual influence of cove rage 9, structure allows all contributions to adopt an C-S-substrate bond angle < j and intermolecular energy minimum, (b) Competitive effect, interactions represented by distance r and their Molecular structure is such that not all dependencies on the molecular structure. For contributions can be optimized atthe same time, the different contributions the actual position of SAM structure is a result of balance of partially the system on the potential curves is indicated by opposing forces. For details see text.

In order to maintain state-specific populations, low pressures are required. If pressures are raised to the point where collisions are frequent, then specific effects of laser excitation are lost and intermolecular energy transfer heats the entire sample. Reactions induced in this fashion then yield products characteristic of thermal processes. A particularly interesting aspect of this pyrolysis technique is the homogeneous nature of the reaction. Since heating is confined to the region near the laser beam, heterogeneous effects due to hot walls in a conventional pyrolysis reactor are avoided. 

Mizutani, Y. Uesugi, Y Kitagawa, T., Intramolecular vibrational energy redistribution and intermolecular energy transfer in the (d,d) excited state of nickel octaethylporphy-rin. /. Chem. Phys. 1999, 111, 8950-8962. 

Scherer, P. O. J. Seilmeier, A. Kaiser, W., Ultrafast intra- and intermolecular energy transfer in solutions after selective infrared excitation. J. Chem. Phys. 1985, 83, 3948-3957. 

The important role of both intramolecular and intermolecular energy transfer in gas-phase chemical reactions has been stressed in the discussions of unimolecular decompositions and molecular beam studies. In this chapter, intermolecular energy transfer and energy partitioning in chemical reactions is considered more explicitly. The dissociation of homonuclear molecules is discussed since the details of the energy distribution appear to play a major role in the reaction mechanism. The reaction... 

Unimolecular reactions with thermal, optical, or chemical activation are governed by a competition between intramolecular isomerization, dissociation, or the reverse association (or recombination) processes, and intermolecular energy transfer in collisions. In addition to these traditional unimolecular reactions, many other reaction systems may be considered from a unimolecular point of view when a particular intramolecular event can be separated from preceding or other subsequent processes. Following this more general use of the term, unimolecular reaction rate theory has found a quite general application, and has been harmonized with other theories of reaction dynamics. 

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