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  • American Institute of Physics (AIP)  (84)
  • Blackwell Publishing Ltd  (59)
  • Public Library of Science
  • 2000-2004  (144)
  • 1
    Electronic Resource
    Electronic Resource
    INTEGRATING LANDSCAPE ASSESSMENT AND HYDROLOGIC MODELING FOR LAND COVER CHANGE ANALYSIS (2002)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of the American Water Resources Association 38 (2002), S. 0 
    Details
    ISSN: 1752-1688
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Architecture, Civil Engineering, Surveying , Geography
    Notes: : Significant land cover changes have occurred in the watersheds that contribute runoff to the upper San Pedro River in Sonora, Mexico, and southeast Arizona. These changes, observed using a series of remotely sensed images taken in the 1970s, 1980s, and 1990s, have been implicated in the alteration of the basin hydrologic response. The Cannonsville subwatershed, located in the Catskill/Delaware watershed complex that delivers water to New York City, provides a contrast in land cover change. In this region, the Cannonsville watershed condition has improved over a comparable time period. A landscape assessment tool using a geographic information system (GIS) has been developed that automates the parameterization of the Soil and Water Assessment Tool (SWAT) and KINEmatic Runoff and EROSion (KINEROS) hydrologic models. The Automated Geospatial Watershed Assessment (AGWA) tool was used to prepare parameter input files for the Upper San Pedro Basin, a subwatershed within the San Pedro undergoing significant changes, and the Cannonsville watershed using historical land cover data. Runoff and sediment yield were simulated using these models. In the Cannonsville watershed, land cover change had a beneficial impact on modeled watershed response due to the transition from agriculture to forest land cover. Simulation results for the San Pedro indicate that increasing urban and agricultural areas and the simultaneous invasion of woody plants and decline of grasslands resulted in increased annual and event runoff volumes, flashier flood response, and decreased water quality due to sediment loading. These results demonstrate the usefulness of integrating remote sensing and distributed hydrologic models through the use of GIS for assessing watershed condition and the relative impacts of land cover transitions on hydrologic response.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1752-1688.2002.tb05534.x
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  • 2
    Electronic Resource
    Electronic Resource
    STORMFLOW SIMULATION USING A GEOGRAPHICAL INFORMATION SYSTEM WITH A DISTRIBUTED APPROACH (2001)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of the American Water Resources Association 37 (2001), S. 0 
    Details
    ISSN: 1752-1688
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Architecture, Civil Engineering, Surveying , Geography
    Notes: : With the increasing availability of digital and remotely sensed data such as land use, soil texture, and digital elevation models (DEMs), geographic information systems (GIS) have become an indispensable tool in preprocessing data sets for watershed hydrologic modeling and post processing simulation results. However, model inputs and outputs must be transferred between the model and the GIS. These transfers can be greatly simplified by incorporating the model itself into the GIS environment. To this end, a simple hydrologic model, which incorporates the curve number method of rainfall-runoff partitioning, the ground-water base-flow routine, and the Muskingum flow routing procedure, was implemented on the GIS. The model interfaces directly with stream network, flow direction, and watershed boundary data generated using standard GIS terrain analysis tools; and while the model is running, various data layers may be viewed at each time step using the full display capabilities. The terrain analysis tools were first used to delineate the drainage basins and stream networks for the Susquehanna River. Then the model was used to simulate the hydrologic response of the Upper West Branch of the Susquehanna to two different storms. The simulated streamflow hydrographs compare well with the observed hydrographs at the basin outlet.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1752-1688.2001.tb05525.x
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  • 3
    Electronic Resource
    Electronic Resource
    The HCO2 potential energy surface: Stationary point energetics and the HOCO heat of formation (2000)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 113 (2000), S. 5138-5140 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The energies of six stationary points on the OH+CO→HOCO→H+CO2 potential energy surface have been calculated using the G3 and CBS-QB3 methods. An analysis combining ab initio and experimental enthalpies yielded ΔHf298 K (trans-HOCO)=−42.9±1.5 kcal mol−1 (−43.8±1.4 kcal mol−1) at the G3(CBS-QB3) level of theory. These results confirm the revised HOCO heat of formation derived from photoionization spectroscopy and suggest that the HOCO potential well is 8.8 kcal mol−1 shallower than previously thought. We discuss the implications of these results for accurate Rice–Ramsperger–Kassel–Marcus modeling or quantum mechanical scattering calculations of the OH+CO reaction. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1312824
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  • 4
    Electronic Resource
    Electronic Resource
    Detection and characterization of alkyl peroxy radicals using cavity ringdown spectroscopy (2000)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 112 (2000), S. 10695-10698 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Cavity ringdown spectra of the A˜ 2A′−X˜ 2A″ electronic transition in the IR are reported for the methyl and ethyl peroxy radicals. Analysis of partially resolved rotational structure for the origin band of the transition provides information about both the A˜ and X˜ states of CH3O2⋅. An estimate for the absorption cross section is determined from the CRDS absorption and the rate of radical–radical recombination. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.481705
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  • 5
    Electronic Resource
    Electronic Resource
    Nonadiabatic photodissociation dynamics of ICN in the A˜ continuum: A semiclassical initial value representation study (2000)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 112 (2000), S. 5566-5575 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: In this paper we investigate the nonadiabatic photodissociation dynamics of ICN in the A˜ continuum, using a semiclassical initial value representation method which is able to describe electronically nonadiabatic processes through the quantization of the classical electron–nuclear model Hamiltonian of Meyer and Miller [J. Chem. Phys. 70, 3214 (1979)]. We explore the capabilities of this semiclassical technique as applied to studying the ICN absorption spectrum, and the CN rotational distribution, through direct comparison of our semiclassical results with experimental data, and with full quantum mechanical calculations. We find that the Meyer–Miller Hamiltonian, quantized according to the semiclassical prescription, describes the ICN photodissociation dynamics in excellent agreement with full-quantum mechanical calculations. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.481130
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  • 6
    Electronic Resource
    Electronic Resource
    The state-to-state predissociation dynamics of OC–HF upon HF stretch excitation (2000)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 113 (2000), S. 4581-4587 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Photofragment angular and state distributions have been measured following the vibrational predissociation of the OC–HF complex. An F-center laser is used to pump the fundamental H–F stretching vibration of the complex and a second F-center laser is used to probe the rotational states of the HF fragment as a function of recoil angle. The complex dissociates via two different sets of channels, one that produces vCO=1, JHF=6,5,4 (intermolecular V–V transfer) and the other vCO=0, JHF=11 (V–R transfer). Analysis of the data gives correlated final state distributions, as well as an accurate value for the dissociation energy (D0) of the complex, namely 732±2 cm−1. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1288605
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  • 7
    Electronic Resource
    Electronic Resource
    Semiclassical description of nonadiabatic quantum dynamics: Application to the S1–S2 conical intersection in pyrazine (2000)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 112 (2000), S. 10282-10292 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A recently proposed semiclassical approach to the description of nonadiabatic quantum dynamics [G. Stock and M. Thoss, Phys. Rev. Lett. 78, 578 (1997), X. Sun and W. H. Miller, J. Chem. Phys. 106, 916 (1997)] is applied to the S1–S2 conical intersection in pyrazine. This semiclassical method is based on a transformation of discrete quantum variables to continuous variables, thereby bypassing the problem of a classical treatment of discrete quantum degrees of freedom such as electronic states. Extending previous work on small systems, we investigate the applicability of the semiclassical method to larger systems with strong vibronic coupling. To this end, we present results for several pyrazine models of increasing dimensionality and complexity. In particular, we discuss the quality and performance of the semiclassical approach when the number of nuclear degrees of freedom is increased. Comparison with quantum-mechanical calculations and experimental results shows that the semiclassical method is able to describe the ultrafast dynamics in this system. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.481668
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  • 8
    Electronic Resource
    Electronic Resource
    Forward–backward initial value representation for the calculation of thermal rate constants for reactions in complex molecular systems (2000)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 112 (2000), S. 47-55 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The semiclassical (SC) initial value representation (IVR) provides a potentially practical way for including quantum effects into classical molecular dynamics simulations. The forward–backward (FB) version of the IVR provides an especially attractive way for calculating time correlation functions, in particular the reactive flux correlation function which determines chemical reaction rates. This paper presents a further analysis and development of the FB-IVR approach. Applications show that it is feasible and accurate for a reaction coordinate coupled to up to 40 degrees of freedom. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.480560
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  • 9
    Electronic Resource
    Electronic Resource
    On the correlation between photoelectron energy and bending excitation in molecular photoionization (2000)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 113 (2000), S. 899-902 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We report on excitation of the bending vibration following 3σu−1 photoionization of CO2. Dispersed fluorescence is used to determine the v+=(0,1,0)/v+=(0,0,0) ratio over the range 18≤hνexc≤190 eV. The results demonstrate that the bending excitation varies over this wide range, and is influenced by the photoelectron. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.481869
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  • 10
    Electronic Resource
    Electronic Resource
    Photodissociation of cyclic HF complexes: Pentamer through heptamer (2000)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 113 (2000), S. 971-978 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Photofragment angular and final rotational state distributions have been measured, corresponding to the vibrational predissociation of HF polymers [(HF)N N=5–7]. The present experiments confirm the theoretical prediction that, for clusters in this size range, the only open dissociation channel corresponds to the "evaporation" of a single HF monomer. The pump–probe experiments reported here indicate that the resulting HF monomer is produced with only modest rotational excitation. Rotational temperatures of 180 and 140 K have been determined for the evaporated HF monomer following dissociation of the HF pentamer and hexamer, respectively. Energy conservation in these photodissociation studies provides upper limits for the dissociation energies (D0), namely, 2941 cm−1 and 2854 cm−1 for the pentamer and hexamer, respectively. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.481877
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