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  • 1
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 93 (1990), S. 416-427 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We examine the effects of interactive noise, i.e., noise which is processed by the system, on the Brusselator, a nonlinear oscillator. The Brusselator is investigated for three types of motion: periodic, quasiperiodic, and chaotic. Fluctuations are imposed on the system variables (Type V noise). The average fluctuation amplitudes are chosen between 10 and 10 000 ppm (1%) and they are Gaussian distributed. The simulated time series are analyzed by autocorrelation functions, Fourier spectra, Poincaré sections, one-dimensional maps, maximum Lyapunov exponents, and correlation dimensions. As a result, noisy periodic and quasiperiodic motion can be distinguished from deterministic chaos if the fluctuation amplitude is sufficiently small. The generic structure of the attractor can be recognized when Lyapunov exponents or correlation dimensions are extrapolated to zero fluctuation amplitude. Quasiperiodic attractors in the Brusselator are obscured even by small amounts of noise. Chaos in the Brusselator, on the other hand, is found to be robust against noise. For periodic motion we show that points close to a bifurcation exhibit a stronger sensitivity towards noise than points far away. In the log–log plots for the correlation dimension we observed break points for noisy periodic and quasiperiodic motion. They separate the noise from the purely deterministic part of the motion. For increasing noise levels the break points move to higher length scales of the attractor. Break points were not found for chaos in the Brusselator nor in the Lorenz and Rössler models. In the Brusselator very large noise levels beyond 1% obscure the deterministic structure even of a chaotic attractor so that any clear distinction between chaos and noise induced (statistical) aperiodicity is no longer possible. Implications on experimental systems are discussed.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 101 (1994), S. 5126-5135 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We extend previous work describing the passive electrical coupling of two periodic chemical states to include quasiperiodic and chaotic states. Our setup resembles an electrochemical concentration cell (a battery) whose half cells [continuous-flow stirred tank reactors (CSTRs)] each contain the Belousov–Zhabotinsky (BZ) reaction. For a closed electrical circuit the two half cells are weakly coupled by an external variable resistance and by a constant low mass flow. This battery may produce either periodic, quasiperiodic, or chaotic alternating current depending on the dynamic BZ states chosen in the half cells. A lower fractal dimensionality is calculated from the electrical potential of a single chaotic CSTR than from the difference potential (relative potential) of the two chaotic half cell potentials. A similar situation is observed in model calculations of a chaotic spatiotemporal system (the driven Brusselator in one space dimension) where the dimensionality derived from a local time series is lower than the dimensionality of the global trajectory calculated from the Karhunen–Loeve coefficients.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 101 (1994), S. 3952-3961 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Calculations have been carried out for several excited electronic states of the protonated water molecule the hydroxonium ion H3O+ at the level of highly correlated, multireference double-excitation configuration-interaction (MRD-CI) computations for several potential energy profiles of the system. It was found that different structural geometries exist for the ground and for the excited electronic states and that such geometries are very helpful for a quantitative interpretation of previous mass spectrometric fragmentation patterns. The general features of the umbrella motion in several electronic states are described for the title system and their importance for the analysis of the above spectra is shown for the first time. The possible extension of the present study to analyze charge-exchange and direct inelastic collision experiments in molecular beams is briefly outlined.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 95 (1991), S. 7965-7968 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The classical structure of protonated C2H2, and the nonclassical, bridge arrangement for the same species, have been studied along the rearrangement pathway with the intention of throwing new light on the role played by the electronically excited state of the full system in the collisions between a proton and the C2H2 molecule. Furthermore, the potential energy on one possible dissociation path into acetylene and proton has been obtained. Extensive, multiple reference double-excitation configuration-interaction (MRD-CI) calculations have been carried out for the first time with the specific aim of locating energies and geometries of the ground and of the lower-lying excited states of the C2H+3 species as it goes from one structure to the other and from the C2V geometry to separated C2H2+H+ or C2H+2+H fragments. The results show an interesting behavior of the excited states and provide a preliminary understanding of the full potential energy surfaces thought to be involved in charge-transfer (CT) inelastic collisions at low and intermediate energies (E≤100 eV).
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 97 (1993), S. 12239-12243 
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 97 (1993), S. 12244-12248 
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 98 (1994), S. 7533-7537 
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 8
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 98 (1994), S. 3927-3929 
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 9
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 98 (1994), S. 184-189 
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 10
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 98 (1994), S. 2072-2077 
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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