Analysis of forward and inverse problems in chemical dynamics and spectroscopy

Technical Report · Wed Jan 01 00:00:00 EST 1992

DOI:https://doi.org/10.2172/6956545· OSTI ID:6956545

Rabitz, H

The forward aspects of the research were concerned with mapping the relation between input potential surface structure, and laboratory dynamical and kinetic observables. The research on inverse analysis complemented the forward analysis studies; objective was to develop algorithms for inversion of quality laboratory data, back to underlying potential surfaces. 24 items of research in molecular dynamics and chemical kinetics are reported. The following collisions/reactions were studied: H + H[sub 2], He - H[sub 2], He - Xe/C(0001), thermal explosions, CO/H[sub 2]/O[sub 2], H[sub 2] + HD, H[sup +] + F([sup 2]P[sub 1/2]), He[sup +] + Ne(2p[sup 6]), Na + I, F + H[sub 2], CO - H[sub 2] - O[sub 2].

• Research Organization: Princeton Univ., NJ (United States). Dept. of Chemistry
• Sponsoring Organization: USDOE; USDOE, Washington, DC (United States)
• DOE Contract Number: FG02-86ER13480
• OSTI ID: 6956545
• Report Number(s): DOE/ER/13480-3; ON: DE93005871
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
74 ATOMIC AND MOLECULAR PHYSICS
CHEMICAL REACTIONS
DYNAMICS
COLLISIONS
ALGEBRA
ALGORITHMS
ATOM-ATOM COLLISIONS
ATOM-MOLECULE COLLISIONS
ATOMS
CARBON MONOXIDE
CHEMICAL REACTION KINETICS
COMBUSTION
DIFFUSION
EXPLOSIONS
FLAMES
FLUORINE
GRADED LIE GROUPS
GRAPHITE
HELIUM
HELIUM IONS
HYDROGEN
HYDROGEN DEUTERIDE
INTERATOMIC FORCES
INTERMOLECULAR FORCES
IODINE
NEON
OXYGEN
POTENTIALS
PROGRESS REPORT
QUANTUM MECHANICS
ROTATIONAL STATES
SCATTERING
SENSITIVITY ANALYSIS
SODIUM
SURFACES
VIBRATIONAL STATES
XENON
ALKALI METALS
ATOM COLLISIONS
CARBON
CARBON COMPOUNDS
CARBON OXIDES
CHALCOGENIDES
CHARGED PARTICLES
DEUTERIDES
DEUTERIUM COMPOUNDS
DOCUMENT TYPES
ELEMENTAL MINERALS
ELEMENTS
ENERGY LEVELS
EXCITED STATES
FLUIDS
GASES
HALOGENS
HYDROGEN COMPOUNDS
IONS
KINETICS
LIE GROUPS
MATHEMATICAL LOGIC
MATHEMATICS
MECHANICS
METALS
MINERALS
MOLECULE COLLISIONS
NONMETALS
OXIDATION
OXIDES
OXYGEN COMPOUNDS
RARE GASES
REACTION KINETICS
SYMMETRY GROUPS
THERMOCHEMICAL PROCESSES
400201* - Chemical & Physicochemical Properties
664300 - Atomic & Molecular Physics- Collision Phenomena- (1992-)
400800 - Combustion
Pyrolysis
& High-Temperature Chemistry