The effect of spin-orbit splitting on the association kinetics of barrierless halogen atom-hydrocarbon radical reactions

Journal of Physical Chemistry A

Volumn 114, Issue 18, 2010, Pages 5759-5768

  Jasper, Ahren W ^a   Klippenstein, Stephen J ^b   Harding, Lawrence B ^b  

^a SANDIA NATIONAL LABORATORIES   (United States)

^b ARGONNE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; ACTIVE SPACES; ASSOCIATION KINETICS; BASIS SETS; DIVIDING SURFACES; ENERGETIC EFFECT; EXPERIMENTAL MEASUREMENTS; HALOGEN ATOMS; HARMONIC OSCILLATORS; HYDROCARBON RADICALS; LONG-RANGE INTERACTION POTENTIAL; PERTURBATIVE MODEL; RADICAL RECOMBINATION; RATE COEFFICIENTS; RIGID ROTOR; SPIN ORBIT INTERACTIONS; SPIN-ORBIT SPLITTINGS; THEORETICAL PREDICTION; TRANSITION STATE; TRANSITION STATE THEORIES;

ASSOCIATION REACTIONS; ATOMS; FORECASTING; HALOGEN ELEMENTS; HYDROCARBONS; ORBITS; OSCILLATORS (ELECTRONIC); REACTION KINETICS; RIGID ROTORS; SURFACE REACTIONS;

SPIN DYNAMICS;

EID: 77952142593     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp1015092     Document Type: Article

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