Library

X
feed icon rss

Your email was sent successfully. Check your inbox.

An error occurred while sending the email. Please try again.

Proceed reservation?

Export
  • 1
    Electronic Resource
    Electronic Resource
    Excited-state dynamics of rare-gas clusters (1988)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 88 (1988), S. 4273-4288 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: In this paper we explore the dynamic implications of energy exchange in electronically vibrationally excited states of mixed rare-gas clusters. The classical molecular dynamics method was applied for the study of vibrational energy flow from electronically excited atomic Xe(3P1) states in Xe*Ar12 and Xe*Ar54, and the consequences of Xe@B|2 (3Σu) excimer formation in Xe*2 Ar11 and Xe@B|2 Ar53 clusters. We have established the occurrence of an ultrafast vibrational energy flow (∼300 fs) from local Rydberg atomic and excimer excitations into the cluster, which is accompanied by large configurational dilation around the excited state, due to short-range repulsive interactions. Size effects on cluster dynamics were elucidated, being manifested by vibrational predissociation in small clusters and by vibrational relaxation and vibrational energy redistribution in large clusters. A gradual transition from reactive molecular type relaxation in small clusters to nonreactive condensed-matter type relaxation in large clusters was documented. Qualitative and quantitative differences between relaxation of excited species initially located in the interior or on the surface of the cluster were established, being exhibited in the details of the vibrational energy flow. In the case of bulk Xe*2 Ar53, excessive local heating is manifested in cluster melting, which results in mass transport of the excimer to the cluster surface. The many facets of the dynamics of electronically excited mixed rare-gas clusters are amenable to experimental interrogations.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.453786
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 2
    Electronic Resource
    Electronic Resource
    Surface and internal excess electron states in molecular clusters (1989)
    s.l. : American Chemical Society
    Accounts of chemical research 22 (1989), S. 350-357 
    Details
    ISSN: 1520-4898
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/ar00166a002
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 3
    Electronic Resource
    Electronic Resource
    Electron excitation dynamics, localization and solvation in small clusters (1987)
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 91 (1987), S. 4890-4899 
    Details
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/j100303a005
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 4
    Electronic Resource
    Electronic Resource
    Cluster isomerization induced by electron attachment (1987)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 87 (1987), S. 2716-2723 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: In this paper we explore the mechanisms of cluster isomerization induced by electron attachment to small, neutral Na4Cl4 clusters, with the localization of an excess electron inducing structural configurational changes within the cluster. The constant temperature quantum path integral molecular dynamics method was applied to obtain information of the structure and energetics of the cluster as well as the binding energy and the charge distribution of the excess electron for Na4Cl−4 clusters, over the temperature range of 50–1200 K. The attachment of an excess electron to the ionic cluster induced two types of configurational modifications, which can be traced to the role of the excess electron as a pseudonegative ion and to the partial neutralization of a single cation by the excess electron. Consequently, the induction of isomerization at moderately low temperatures, in conjunction with the appearance of new nuclear configurations of the negative cluster, which have no counterpart in the neutral parent cluster, are exhibited.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.453059
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 5
    Electronic Resource
    Electronic Resource
    Electron localization in clusters (1987)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 32 (1987), S. 573-587 
    Details
    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: The quantum path integral molecular dynamics method was utilized to explore the compositional, structural, and size dependence of localization mode of an excess electron in ionic and hydrogen-bonded clusters, providing information on the nature of surface states and on isomerization induced by electron attachment in large finite systems.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560320758
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
Close ⊗
This website uses cookies and the analysis tool Matomo. More information can be found here...