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  • 1
    Unknown
    Berlin, Heidelberg : Springer
    Keywords: Biomedical engineering ; Chemistry ; Chemistry, Physical organic ; Plasma (Ionized gases) ; Spectrum analysis
    ISBN: 9783540680383
    Language: English
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  • 2
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 100 (1994), S. 9007-9017 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The dynamics of cyclic systems with four equivalent potential minima is studied here from two different points of view. The solution of the time-dependent Schrödinger equation provides insight into the coherent wave packet motion. The resulting reaction mechanism involves relocalization between opposite, not neighboring potential minima. The inclusion of an environment within a density matrix description leads to dissipation and therefore to a transition from coherent to incoherent dynamics. The theoretical considerations are applied to a simple model of the cyclic motion of a proton in a molecular framework.
    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. 10404-10415 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The density matrix theory is utilized for the description of ultra fast optical properties and related vibrational wave packet dynamics of molecular systems in condensed media. As an example, optically induced vibrational wave packets in the so-called curve–crossing system are considered. Such a system goes beyond the standard treatment of optical phenomena since the vibrational wave packet moves in a double well potential and is subject to environmental influences like wave function dephasing and relaxation. The complete theoretical description has been carried out in a representation of the vibrational wave functions of the diabatic states which refer to the two coupled vibrational surfaces. Solving the corresponding density matrix equations by numerical methods allows us to incorporate the static coupling between the crossed surfaces in a nonperturbative manner. Standard projection operator technique is used to treat environmental contributions up to the second order. For the case of a bilinear coupling between the molecular system and the environment we determine the time development of an initially prepared Gaussian wave packet. Corresponding time-resolved spectra of a pump–probe configuration are also derived. The developed formalism is finally applied to the system of the coupled electronic states c' 1Σ+u and b' 1Σ+u of the N2 molecule. © 1994 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 97 (1993), S. 12591-12595 
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    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 105 (1996), S. 8586-8601 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The linear and third-order polarizabilities of the light-harvesting antennae of photosynthetic bacteria and green plants are calculated using an equation of motion approach which maps the system onto a coupled set of anharmonic excitonic oscillators. The oscillator representation is shown to have several advantages over the traditional picture based on properties of individual global eigenstates of the aggregate; besides a considerable reduction of computational effort, the dynamics of excitations in the two-exciton band is conveniently analyzed in terms of single-exciton Green's functions and the two-exciton scattering matrix. © 1996 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    Springer
    Human genetics 〈Berlin〉 11 (1971), S. 316-322 
    ISSN: 1432-1203
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Description / Table of Contents: Zusammenfassung 10–12 Wochen alte weibliche Mäuse der Stämme C3H und (101xC3H)F1 wurden mit 2,3,5-Triäthyleniminobenzochinon-1,4 (T) kurz vor der Ovulation behandelt. Danach wurden die ♀ ♀ mit unbehandelten ♂ ♂ des gleichen Typs verpaart. Die aus dieser Paarung resultierenden Embryonen wurden zum Zeitpunkt des 2-Zellstadiums aus dem Eileiter ausgespült und einer Chromosomenanalyse unterworfen. Es fanden sich signifikante Unterschiede zwischen Versuch und Kontrolle in beiden Stämmen bezüglich der Aneuploidieraten. Die Raten struktureller Aberrationen waren gegenüber den Kontrollen zwar auch in beiden Stämmen erhöht, die Werte waren jedoch nur im C3H-Stamm signifikant.
    Notes: Summary 10–12-week-old female mice of the C3H strain and (101xC3H)F1 hybrids were treated with 2,3,5-triethyleneiminobenzoquinone-1,4 (T) shortly before induced ovulation. Then the animals were mated with untreated males of the same type. The embryos from these matings were flushed out of the oviduct usually during the 2-cell-stage and subjected to chromosome analysis. We found significant differences between both experimental series and matching controls, especially with the frequency of aneuploidy. Thus, we could demonstrate that chromosome aberrations can be chemically induced in the pre-ovulatory phase of oogenesis.
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    Springer
    The European physical journal 14 (2001), S. 205-215 
    ISSN: 1434-6079
    Keywords: PACS. 33.15.Fm Bond strengths, dissociation energies – 31.15.Ar Ab initio calculations – 31.15.Qg Molecular dynamics and other numerical methods
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract: The laser driven dynamics of the OH(D) stretching vibration in phthalic acid monomethylester is investigated. The combination of a 55-dimensional all-Cartesian reaction surface Hamiltonian and the time-dependent self-consistent field approach is shown to provide a microscopic picture of intramolecular vibrational energy redistribution taking place upon interaction with an external laser field. Choosing suitable zeroth-order vibrational states and combinations thereof a quasi-periodic in-phase and out-of-phase oscillatory behavior is observed manifesting energy flow on different time scales. The fingerprints of this behavior in transient absorption spectroscopy are also discussed.
    Type of Medium: Electronic Resource
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  • 8
    Electronic Resource
    Electronic Resource
    Springer
    The European physical journal 6 (1999), S. 49-55 
    ISSN: 1434-6079
    Keywords: PACS. 31.70.Hq Time-dependent phenomena: excitation and relaxation processes, and reaction rates - 82.40.Js Fast and ultrafast reactions - 82.30.Qt Isomerization and rearrangement
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract: Different pulse shapes realizing photo isomerization via laser driven tunnelling or vibrational transitions are studied here. Particular attention is paid to the investigation of their robustness with respect to the influence of dissipative processes introduced by the interaction with an environment. An iterative scheme for propagation of the reduced density matrix in the path integral representation is used to take into account arbitrary system-environment coupling strengths as well as the effect of non-Markovian dynamics.
    Type of Medium: Electronic Resource
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  • 9
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 57 (1996), S. 343-353 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Ultrafast dissipative dynamics of vibrational degrees of freedom in molecular systems in the condensed phase are studied here. Assuming that the total system is separable into a relevant part and a reservoir, the dynamics of the relevant part can be described by means of a reduced statistical density operator. For a weak or intermediate coupling between the relevant part and the reservoir, it is possible to derive a second-order master equation for this operator. Using a representation of the reduced statistical operator in an appropriate molecular basis set, vibrational dynamics in a variety of potential energy surfaces can be studied. In the numerical calculations, we focus on the dissipative dynamics under the influence of external laser fields. In the first example, vibrational wave-packet dynamics and time-resolved pump-probe spectroscopy of molecular systems with nonadiabatically coupled excited-state potential energy surfaces is presented. In the second part, we show how an intense laser field modifies the wave-packet motion onto two radiatively coupled potential energy surfaces. Finally, the controlled preparation of definite vibrational states in a triatomic molecule with infrared laser pulses is considered taking relaxation and dephasing processes into account. © 1996 John Wiley & Sons, Inc.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
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  • 10
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Liebigs Annalen 34 (1840), S. 211-218 
    ISSN: 0075-4617
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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