Non-adiabatic Effects in Chemical Dynamics
This volume focuses on recent developments in the field of electronically non-adiabatic transitions which are central to a wide variety of rate processes.
- Paperback | 478 pages
- 170 x 245mm | 940g
- 10 Sep 2004
- Royal Society Of Chemistry
- Cambridge, United Kingdom
Table of contents
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 1pisigma* 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.