Published October 15, 1979
| Version v1
Journal article
Application of the vibrationally adiabatic and static distorted wave Born approximations to the reaction H+F2(γ=O,j=0)→HF(γ',j')+F
Description
Relative vibration-rotation reaction probabilities for the H+F2(γ=0,j=0)→HF(γ',j')+F reaction on the best extended LEPS potential energy surface No. II of Jonathan et al. (1972-3) have been computed using a three-dimensional, quantum-dynamical distorted-wave Born approximation. Good agreement with experimental, quasiclassical trajectory and collinear quantum results has been obtained provided the vibrational wavefunction of F2 is allowed to distort adiabatically as the H atom approaches, and is not held static. (Auth.)
Additional details
Publishing Information
- Journal Title
- Chem. Phys. Lett.
- Journal Volume
- 66
- Journal Issue
- 3
- Series
- Chem. Phys. Lett.
- Journal Page Range
- 493-497
- ISSN
- 0009-2614
INIS
- Country of Publication
- Netherlands
- Country of Input or Organization
- Netherlands
- INIS RN
- 11532620
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS; S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
- Descriptors DEI
- ADIABATIC APPROXIMATION; ATOM-MOLECULE COLLISIONS; CHEMICAL REACTION KINETICS; DWBA; FLUORINE; HYDROFLUORIC ACID; HYDROGEN; POTENTIAL ENERGY; ROTATIONAL STATES; THREE-DIMENSIONAL CALCULATIONS; VIBRATIONAL STATES
- Descriptors DEC
- ATOM COLLISIONS; BORN APPROXIMATION; COLLISIONS; ELEMENTS; ENERGY; ENERGY LEVELS; EXCITED STATES; FLUORINE COMPOUNDS; HALOGEN COMPOUNDS; HALOGENS; HYDROGEN COMPOUNDS; INORGANIC ACIDS; KINETICS; MOLECULE COLLISIONS; NONMETALS; REACTION KINETICS