Rare gas-halogen clusters

Diffusion Monte-Carlo Calculations of Quasi-Bound States of Rare Gas-Halogen Clusters a Diabatic Approach... 

Diffusion Monte-Carlo calculations of quasi-bound states of rare gas-halogen clusters a diabatic approach... 

Janda, K.C. and Bieler, C.R. (1990). Rotational rainbows, quantum interference, intramolecular vibrational relaxation and chemical reactions All in rare gas-halogen molecules, in Atomic and Molecular Clusters, ed. E.R. Bernstein (Elsevier, Amsterdam). 

The purpose of our work was to examine whether the compressed hot cluster provides an effective medium for reactions with high barriers. In the simplest case of cluster impact experiments, the reactants are embedded inside a rare gas cluster, and this cold droplet is incident on an inert surface at various velocities. Two classes of reactions were examined in detail using standard molecular dynamics simulations the dissociation of halogen molecules and four-center reactions. ... 

The high relative velocities following impact of a cluster on a surface suggests that such dissociation processes can readily take place when a diatomic molecule embedded inside the cluster is activated by a collision. Molecular dynamics simulations show that beyond a threshold, the yield of dissociation of halogen molecules solvated in a rare gas cluster is a rapidly increasing function of the collision velocity and can reach 100%, see Fig. 6. This, unlike the surface impact induced dissociation of unclustered, cold, halogen molecules where the yield reaches a plateau of below 40%. ° ... 

Sb-H bonds, 489 Sb-halogen bonds, 489 Se-H bonds, 451 Se-halogen bonds, 451 Si-Br bonds, 465 Si-Cl bonds, 464 Si-F bonds, 464 Si-H bonds, 455 Si-1 bonds, 465 Sn-Br bonds, 475-476 Sn-Cl bonds, 475 Sn-F bonds, 475 Sn-H bonds, 473 Sn-1 bonds, 476 Te-H bonds, 453 Te-halogen bonds, 453 Rare gas complexes anions, 1452 cations, 1446-1452 neutrals, diatomic, 1429-1436 polyatomic, 1436-1446 Rb-contarnmg species neutrals, 557-559 Rb clusters, 559-562 Rb clusters, 562-563 Re-containing species neutrals,796-799 Re clusters, 799-801 Re clusters, 801 Rh-contarnmg species neutrals, 882-892 Rh clusters, 892-894 Ru-containing species neutrals, 840-848 Ru clusters, 849-851... 

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