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  • Blackwell Publishing Ltd  (21)
  • Oxford University Press  (16)
  • American Institute of Physics (AIP)  (14)
  • American Chemical Society (ACS)
  • 1985-1989  (45)
  • 1955-1959  (6)
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  • 1
    Publication Date: 1988-01-01
    Print ISSN: 1367-4803
    Electronic ISSN: 1460-2059
    Topics: Biology , Computer Science , Medicine
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  • 2
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 90 (1989), S. 5102-5107 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Electrochemical techniques are applied to a study of selected intrinsic physical properties (independent of dopant) of polyacetylene, (CH)x. Electrochemical voltage spectroscopy (EVS) is used to characterize the energies of charge injection and removal for both cis-(CH)x and trans-(CH)x. The difference in charge injection and ejection potentials is shown to give a direct measure of the approximate semiconductor band gap and the results are compared with similar data from optical measurements. Charge injection and ejection potentials are used to define the redox potentials of (CH)x and are used in conjunction with equilibrium potential measurements at varying oxidation or reduction levels of polyacetylene to present a unifying concept to the electrochemistry of (CH)x.
    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 89 (1988), S. 3057-3062 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A nonperturbative theory of predissociation based upon an effective Hamiltonian is presented. For a model diatomic system in which a (bound-state) Morse potential-energy curve is crossed by an (unbound-state) exponential potential-energy curve, the exact effective Hamiltonian may be obtained in high precision for any well behaved interaction potential. The real and imaginary parts of the eigenvalues of the effective Hamiltonian give the (shifted) energies and widths, respectively, of the predissociative states. Numerical results are obtained and compared with both a semiclassical approximation and those derived from solutions of coupled Schrödinger equations. In the weak-coupling regime the agreement between the present method and semiclassical results is good, and better in general than the coupled-equations results, which apparently suffer from instability problems. For couplings of intermediate strength, the semiclassical method breaks down, as do fully quantum-mechanical first-order perturbation approximations, as is demonstrated by comparison with the converged nonperturbative results. Fixed points of the spectrum appear at "resonance'' values of the coupling strength which bring the exact energy eigenvalue into resonance with one of the adiabatic levels so that the imaginary part (level width) of the former vanishes. Thus beyond a critical coupling strength, stronger coupling enhances the stability of a resonance.
    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 88 (1988), S. 5984-5985 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The nature of the metastable state of hydrogen trimers described by Ga and Kuppermann (ref.1) is further discussed. The analysis is based on linewidth measurements in the emission spectrum of the trimer, the quantum mechanical selection rules, and earlier beam and photoionization measurements.(AIP)
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 88 (1988), S. 7662-7670 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Formulation of the expectations of eight operators required for the evaluation of the Born corrections, the Born couplings, and higher derivatives of the Born–Oppenheimer wave functions are derived for the case of a Gaussian-lobe orbital (GLO) basis. The relative simplicity of these analytical formulas is a special advantage of GLO and reduces the computer time in these calculations. Some operators treated here require a modification of the Slater rules. As examples of applications of these techniques, ab initio calculations of the orbital stresses and the Born corrections for the ground state X 1Σ+g and excited states 1Σ+g(II), C, C' 3Πu, and 3Πu(II) of N2 are reported. The obtained results show that the Born correction near the avoided crossing region strongly depends upon the nuclear separation; in this region configuration interaction makes an important contribution.
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 88 (1988), S. 4949-4956 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The nuclear displacement operator (NDO) for Born–Oppenheimer electronic wave functions (BOEWF) is introduced and some recurrence formulas are obtained. The formulas for Born couplings and higher derivatives of BOEWF with respect to nuclear coordinates are derived from very general considerations and relations among these quantities are given. The series form, exponential, and integral forms of the NDO are exhibited. Particularly, it is proven that for the two-state systems the NDO has a very simple form by which it is convenient to study two-state dynamical processes. It is shown that the NDO satisfies a differential equation which is analogous to that for the time-evolution operator in the presence of a time-dependent perturbation. The physical meanings of these two operators are compared. It is demonstrated that the NDO is uniquely determined by the vector Born coupling matrix, and that the nuclear motion may be analyzed in terms of a local non-Abelian gauge transformation.
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 82 (1985), S. 3646-3649 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Final state distributions and state-specific reaction cross sections for 1.5–6 keV He2+/K collisions have been determined from data acquired using both neutralized ion beam spectroscopy and direct observation of luminescence from decay of excited collision products. While several minor reaction channels can be identified, it is found that near-resonant processes yielding He2(a 3Σu+) and He2(A 1Σu+) are predominant. These major channels, both of which have cross sections in excess of 100 A(ring)2, lead to substantial production of energetic metastable molecules and VUV continuum radiation extending from about 750 to 850 A(ring).
    Type of Medium: Electronic Resource
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  • 8
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 82 (1985), S. 4916-4919 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The relative abundances of metastable H@B|3 and D*3 molecules in collimated beams of neutralized ions are analyzed by the technique of collisional reionization (charge stripping). The fraction of metastable/dissociative species formed in the electron transfer process H+3(D+3)+K(g) → H@B|3(D*3)+K+ diminishes if the precursor ions have excess internal energy. The abundance ratio of H@B|3/D*3 for equivalent 6 keV beam fluxes increases sharply when the time span between neutralization and reionization is increased. The measurements show that a state of D@B|3 with low rotational quantum numbers (N〉0) is decaying on the time scale of the beam transit with a lifetime of about 0.2 μs. Results are interpreted in reference to the predissociation behavior of the 2p 2A2 electronic state of the radical. The disproportionate ratio of IH@B|3/ID*3 (very-much-greater-than) 1 is a consequence of the relative abundances of precursor levels in H+3 and D+3 that can transform into metastables by electron transfer.
    Type of Medium: Electronic Resource
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  • 9
    Electronic Resource
    Electronic Resource
    Oxford, UK : Blackwell Publishing Ltd
    Journal of business finance & accounting 13 (1986), S. 0 
    ISSN: 1468-5957
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Economics
    Type of Medium: Electronic Resource
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  • 10
    Electronic Resource
    Electronic Resource
    Oxford, UK : Blackwell Publishing Ltd
    FEMS microbiology letters 29 (1985), S. 0 
    ISSN: 1574-6968
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Biology
    Notes: Abstract The cpcA and cpcB genes, which encode the α- and β-subunit apoproteins of Synechococcus 7002 phycocyanin (PC), respectively, are efficiently expressed in Escherichia coli. Studies performed with a series of deletions produced from the parental plasmid pAQPR1 suggest that transcription of these genes in E. coli is initiated from a promoter located not more than 384 bp upstream from the translation start of cpcB. An examination of the nucleotide sequence of this region reveals a consensus E. coli promoter centered approx. 374 bp upstream from the cpcB translation start. The cyanelle-encoded allophycocyanin α- and β-subunit apoprotein genes (apcA and apcB) of Cyanophora paradoxa are also expressed in E. coli.
    Type of Medium: Electronic Resource
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