Theory of Chemical Reaction Dynamics (eBook)

Dedication to Evgueni Nikitin. Asymptotic interactions between open shell partners in low temperature complex formation: the H(X2S1/2)+O2(X3Epsilon=g) and O(3Pjsigma)+OH(X2Pi) systems; A.I. Maergoiz, et al. Differential cross sections for abstraction reactions of halogen atoms with molecular hydrogen including nonadiabatic effects; M.H. Alexander, Yi-Ren Tzeng. On the quantization of the electronic non-adiabatic coupling terms: the H+H2 system as a case study; G. Halász, et al. Non-adiabatic dynamics in the O+H2 reaction: a time-independent quantum mechanical study; B. Maiti, G.C. Schatz. Nonadiabatic transitions between asymptotically degenerate states; V.I. Osherov, et al. Coupling of electron momenta in ion-atom collisions; B.M. Smirnov. Time-dependent wave packet calculations for reactive scattering and photodissociation; G.G. Balint-Kurti, A. Brown. Quantum dynamics of insertion reactions; P. Honvault, J.-M. Launay. Chebyshev propagation and applications to scattering problems; Hua Guo. Molecular dynamics: energy selected bases; J.C. Light, Hee-Seung Lee. Molecular reaction stereodynamics: in search of paths to overcome steric hindrances to reactivity; V. Aquilanti, et al. The rotating bond umbrella model applied to atom-methane reactions; G. Nyman. Reaction dynamics of polyatomic systems: from A + BCD --> AB + CD to X + YCZ3 --> XY + CZ3; Dong H. Zhang, Minghui Yang. Strong acceleration of chemical reactions arising through the effects of rotational excitation of reagents on collision geometry; A. Miklavc. Dynamics studies of the O(3P) + CH4, C2H6 andC3H8 reactions; D. Troya, G.C. Schatz. Dynamics of biomolecular reactions of vibrationally excited molecules; E. Bene, et al. Towards a grid based universal molecular simulator; A. Laganà. Vibrational predissociation: quasiclassical tunneling through classical chaotic sea; E.E. Nikitin, J. Troe. Some recent advances in the modeling of ion-molecule association reactions; J. Troe. Vibrational relaxation of diatoms in collisions with atoms at very low energies; E.I. Dashevskaya, et al. Collisional energy transfer in the gas phase by classical trajectory calculations; V. Bernstein, I. Oref. Manipulation of atoms and molecules with laser radiation and external fields; M. Auzinsh. Photodissociation of hydrogen halides in a cryogenic rare gas environment: a complex approach to simulations of cluster experiments; P. Slavícek, P. Jungwirth. List of participants of the Advanced Research Workshop. List of papers given at the Advanced Research Workshop. Index.