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This volume focuses on recent developments in the field of electronically non-adiabatic transitions which are central to a wide variety of rate processes, ranging from charge transfer collisions in the upper atmosphere and interstellar material to organic photochemistry. Work is presented in the following areas: photochemical dynamics; fine structure and charge transfer processes; surface hopping; observable consequences of geometric phase; dissociative attachment; non-adiabatic processes in biology; and application to cold atom collisions. Faraday Discussions documents a long-established series of Faraday Discussion meetings which provide a unique international forum for the exchange of views and newly acquired results in developing areas of physical chemistry, biophysical chemistry and chemical physics. The papers presented are published in the Faraday Discussion volume together with a record of the discussion contributions made at the meeting. Faraday Discussions therefore provide an important record of current international knowledge and views in the field concerned.

Non-Adiabetic Effects in Chemical Dynamics

Introductory lecture: Nonadiabatic effects in chemical dynamics; Ultrafast temporary charge transfer in pyrrolidinyl-benzonitrile and pyrrolyl-benzonitrile in the gas phase; Regularized diabatic states and quantum dynamics on intersecting potential energy surfaces; A resonance-mediated non-adiabatic reaction: F*(2P1/2) + HD - HF(v = 3) + D; Details and consequences of the nonadiabatic coupling in the Cl(2P) + H2 reaction; Target isotope effects for vibrationally-resolved electron capture in low-energy collisions of O3+ with molecular hydrogen; Rapid timescale processes and the role of electronic surface coupling in the photolysis of diatomic ligands from heme proteins; Strickler-Berg analysis of excited singlet state dynamics in DNA and RNA nucleosides; Conical intersection dynamics in solution: The chromophore of Green Fluorescent Protein; Spin-forbidden CO ligand recombination in myoglobin; Structure of the intersection space associated with Z/E photoisomerization of retinal in rhodopsin proteins; Non-adiabatic intramolecular and photodissociation dynamics studied by femtosecond time-resolved photoelectron and coincidence imaging spectroscopy; Experimental observation of competing pathways in the relaxation of ICl* in a He supersonic expansion; Photodissociation dynamics of pyrrole: Evidence for mode specific dynamics from conical intersections; Time-dependent quantum wave-packet description of the 1 * photochemistry of pyrrole; New paradigm of transition metal polypyridine complex photochemistry; A novel algorithm for non-adiabatic direct dynamics using variational Gaussian wavepackets; Marching along ridges. An extrapolatable approach to locating conical intersections; On diabatization and the topological D-matrix: Theory and numerical studies of the H + H2 system and the C2H2 molecule; Time resolved solvent rearrangement dynamics; Environmental effects on a conical intersection: A model study; Triatomic dissociative recombination theory: Jahn-Teller coupling among infinitely many Born-Oppenheimer surfaces; Extraordinary branching ratios in astrophysically important dissociative recombination reactions; Nonadiabatic coupling and vector correlation in dissociation of triatomic hydrogen; General Discussion.