Semiclassical vibrationally adiabatic model for resonances in reactive collisions
Conference
·
· J. Phys. Chem.; (United States)
OSTI ID:6761261
- Chemical Dynamics Corp., Columbus, OH
A vibrationally adiabatic model is used to predict the positions of resonances in reactive scattering for collinear H + H/sub 2/, H + FH, and Cl + H/sub 2/ and isotopic analogues of these reactions and for three-dimensional H + H/sub 2/. Good agreement was obtained with accurate quantum mechanical results for both shape and Feshbach resonances. In some cases the agreement is better if it is assumed that the system follows a dynamical path on which the internal centrifugal forces are balanced by the potential energy surface than if it is assumed that the system follows the minimum-energy path.
- OSTI ID:
- 6761261
- Report Number(s):
- CONF-8106216-
- Conference Information:
- Journal Name: J. Phys. Chem.; (United States) Journal Volume: 86:7
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400202 -- Isotope Effects
Isotope Exchange
& Isotope Separation
640304* -- Atomic
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
ATOM COLLISIONS
ATOM-ATOM COLLISIONS
ATOM-MOLECULE COLLISIONS
ATOMS
BETA DECAY RADIOISOTOPES
BETA-MINUS DECAY RADIOISOTOPES
CHLORINE
COLLISIONS
DATA
DATA COMPILATION
DEUTERIUM
ELEMENTS
ENERGY LEVELS
HALOGENS
HYDROFLUORIC ACID
HYDROGEN
HYDROGEN COMPOUNDS
HYDROGEN ISOTOPES
INFORMATION
INORGANIC ACIDS
ISOTOPE EFFECTS
ISOTOPES
LIGHT NUCLEI
MOLECULE COLLISIONS
MOLECULE-MOLECULE COLLISIONS
NONMETALS
NUCLEI
NUMERICAL DATA
ODD-EVEN NUCLEI
ODD-ODD NUCLEI
RADIOISOTOPES
RESONANCE
STABLE ISOTOPES
TRITIUM
YEARS LIVING RADIOISOTOPES
400202 -- Isotope Effects
Isotope Exchange
& Isotope Separation
640304* -- Atomic
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
ATOM COLLISIONS
ATOM-ATOM COLLISIONS
ATOM-MOLECULE COLLISIONS
ATOMS
BETA DECAY RADIOISOTOPES
BETA-MINUS DECAY RADIOISOTOPES
CHLORINE
COLLISIONS
DATA
DATA COMPILATION
DEUTERIUM
ELEMENTS
ENERGY LEVELS
HALOGENS
HYDROFLUORIC ACID
HYDROGEN
HYDROGEN COMPOUNDS
HYDROGEN ISOTOPES
INFORMATION
INORGANIC ACIDS
ISOTOPE EFFECTS
ISOTOPES
LIGHT NUCLEI
MOLECULE COLLISIONS
MOLECULE-MOLECULE COLLISIONS
NONMETALS
NUCLEI
NUMERICAL DATA
ODD-EVEN NUCLEI
ODD-ODD NUCLEI
RADIOISOTOPES
RESONANCE
STABLE ISOTOPES
TRITIUM
YEARS LIVING RADIOISOTOPES