Van der Waals complexes and

Truhlar D G (ed) 1984 Resonances in Electron-Molecule Scattering, van der Waals Complexes, and Reactive Chemical Dynamics (ACS Symp. Ser. 263) (Washington, DC American Chemical Society)... 

One of the motivations for studying Van der Waals complexes and clusters is that they are floppy systems with similarities to the transition states of chemical reactions. This can be taken one stage further by studying clusters that actually are precursors for chemical reactions, and can be broken up to make more than one set of products. A good example of this is H2-OH, which can in principle dissociate to fonn either H2 + OH or H2O + H. Indeed, dissociation to H2 O -t H is energetically favoured the reaction H2 + OH—> H2 O -t H is exothennic by about 5000... 

Figure 12 shows the calculated main geometrical parameters for the proponium ions, their corresponding van der Waals complexes and also their relative energies. 

Witting and coworkers (1988) used laser (193 nm) to photo dissociate HBr in a C02-HBr van der Waal complex and monitored the OH rotational distribution arising out of the reaction... 

In conclusion, the quantum-state dependence of the dissociation rate reveals a lot of detailed information on the decay of van der Waals complexes and allows to accurately ascertain parts of the multi-dimensional PES. 

A theoretical investigation showed that the most favourable unimolecular decomposition path of primary fluorozonide is a concerted cleavage to carbonyl oxide and formyl fluoride. The secondary fluorozonide decomposition takes place most readily in a stepwise manner initiated by the 0-0 bond rupture.153 DFT calculations have shown that ozone-difluoroethylene reactions are initiated by the formation of van der Waals complexes and then yield primary ozonides, which rapidly open to carbonyl oxide compounds. The formation of primary ozonide has been predicted to be the rate-controlling step of the oxidation process.154... 

Van der Avoird A, Wormer PES, Moszynski R (1997) Theory and computation of vibration, rotation and tunneling motions of van der waals complexes and their spectra. In Scheiner S (ed) Molecular interactions FromVan derWaals to strongly bound complexes, Wiley, New York, ppl05-153... 

The relative TS itself hes in the intersection of the tubes. This TS connects the two regions of the potential, the inner one, organized around the stable van der Waals complex and the outer one, extending toward asymptotic regions. 

P. W. Langhoff, ed., Resonances in Electron-Molecule Scattering, Van der Waals Complexes and Reactive Chemical Dynamics , American Chemical Society, 1984, Vol. 263. 

This chapter reviews several gas-phase studies involving atoms, simple molecules, van der Waals complexes and clusters. Electron-transfer reactions are central processes in a variety of scientific disciplines as outlined in a recent review by Bixon and Jortner [1]. We highlight here the current understanding in the dynamics of the gas-phase electron-transfer reactions, and end the chapter by presenting work which intends to bridge the gap between the standard knowledge of electron-transfer reactions in the gas phase and in condensed phases. 

Na -I- HF is one of the systems where electronic excitation promotes the reaction. In this case, NaF + H is formed. This reaction has been studied both in the gas phase and in van der Waals complexes, and we reserve its discussion to the section on van der Waals complexes (Section 2.6). We focus our attention here on a related system, the reaction... 

In Electron-Molecule Scattering, van der Waals Complexes, and Reactive Chemical Dynamics... 

Resonances in electron-molecule scattering, van der Waals complexes, and reactive chemical dynamics. 

D.G. Truhlar (Ed.), Resonances in electron-molecule scattering, van der Waals complexes, and reactive chemical dynamics, American Chemical Society, Washington, DC, 1984. 

Chapter 11 through Chapter 24 deliver experimental BDEs in inorganics, organo-metallics, ions, clusters, supramolecules, hydrogen- and surface-bonded species, van der Waals complexes, and isotopic species. 

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