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  • 1
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    Primordial and recycled helium isotope signatures in the mantle transition zone (2019)
    American Association for the Advancement of Science (AAAS)
    In: Science
    Details
    Publication Date: 2019
    Description: 〈p〉Isotope compositions of basalts provide information about the chemical reservoirs in Earth’s interior and play a critical role in defining models of Earth’s structure. However, the helium isotope signature of the mantle below depths of a few hundred kilometers has been difficult to measure directly. This information is a vital baseline for understanding helium isotopes in erupted basalts. We measured He-Sr-Pb isotope ratios in superdeep diamond fluid inclusions from the transition zone (depth of 410 to 660 kilometers) unaffected by degassing and shallow crustal contamination. We found extreme He-C-Pb-Sr isotope variability, with high 〈sup〉3〈/sup〉He/〈sup〉4〈/sup〉He ratios related to higher helium concentrations. This indicates that a less degassed, high-〈sup〉3〈/sup〉He/〈sup〉4〈/sup〉He deep mantle source infiltrates the transition zone, where it interacts with recycled material, creating the diverse compositions recorded in ocean island basalts.〈/p〉
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
    Published by American Association for the Advancement of Science (AAAS)
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  • 2
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    Femtosecond dynamics of electron localization at interfaces (1998)
    American Association for the Advancement of Science (AAAS)
    Details
    Publication Date: 1998-01-16
    Description: The dynamics of two-dimensional small-polaron formation at ultrathin alkane layers on a silver(111) surface have been studied with femtosecond time- and angle-resolved two-photon photoemission spectroscopy. Optical excitation creates interfacial electrons in quasi-free states for motion parallel to the interface. These initially delocalized electrons self-trap as small polarons in a localized state within a few hundred femtoseconds. The localized electrons then decay back to the metal within picoseconds by tunneling through the adlayer potential barrier. The energy dependence of the self-trapping rate has been measured and modeled with a theory analogous to electron transfer theory. This analysis determines the inter- and intramolecular vibrational modes of the overlayer responsible for self-trapping as well as the relaxation energy of the overlayer molecular lattice. These results for a model interface contribute to the fundamental picture of electron behavior in weakly bonded solids and can lead to better understanding of carrier dynamics in many different systems, including organic light-emitting diodes.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Ge -- Wong -- Lingle Jr -- McNeill -- Gaffney -- Harris -- New York, N.Y. -- Science. 1998 Jan 9;279(5348):202-5.〈br /〉〈span class="detail_caption"〉Author address: 〈/span〉Department of Chemistry, University of California, Berkeley, CA 94720, USA, and Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/9422687" target="_blank"〉PubMed〈/a〉
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 3
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    Electron solvation in two dimensions (2002)
    American Association for the Advancement of Science (AAAS)
    Details
    Publication Date: 2002-08-17
    Description: Ultrafast two-photon photoemission has been used to study electron solvation at two-dimensional metal/polar-adsorbate interfaces. The molecular motion that causes the excess electron solvation is manifested as a dynamic shift in the electronic energy. Although the initially excited electron is delocalized in the plane of the interface, interactions with the adsorbate can lead to its localization. A method for determining the spatial extent of the localized electron in the plane of the interface has been developed. This spatial extent was measured to be on the order of a single adsorbate molecule.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Miller, A D -- Bezel, I -- Gaffney, K J -- Garrett-Roe, S -- Liu, S H -- Szymanski, P -- Harris, C B -- New York, N.Y. -- Science. 2002 Aug 16;297(5584):1163-6.〈br /〉〈span class="detail_caption"〉Author address: 〈/span〉Department of Chemistry, University of California, Berkeley, and Chemical Sciences Division, E. O. Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/12183625" target="_blank"〉PubMed〈/a〉
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 4
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    Determining transition-state geometries in liquids using 2D-IR (2008)
    American Association for the Advancement of Science (AAAS)
    Details
    Publication Date: 2008-03-29
    Description: Many properties of chemical reactions are determined by the transition state connecting reactant and product, yet it is difficult to directly obtain any information about these short-lived structures in liquids. We show that two-dimensional infrared (2D-IR) spectroscopy can provide direct information about transition states by tracking the transformation of vibrational modes as a molecule crossed a transition state. We successfully monitored a simple chemical reaction, the fluxional rearrangement of Fe(CO)5, in which the exchange of axial and equatorial CO ligands causes an exchange of vibrational energy between the normal modes of the molecule. This energy transfer provides direct evidence regarding the time scale, transition state, and mechanism of the reaction.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Cahoon, James F -- Sawyer, Karma R -- Schlegel, Jacob P -- Harris, Charles B -- New York, N.Y. -- Science. 2008 Mar 28;319(5871):1820-3. doi: 10.1126/science.1154041.〈br /〉〈span class="detail_caption"〉Author address: 〈/span〉Department of Chemistry, University of California, Berkeley, CA 94720, USA.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/18369145" target="_blank"〉PubMed〈/a〉
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 5
    Electronic Resource
    Electronic Resource
    The Crystal and Molecular Structure of Dipotassium Octachlorodirhenate(III) Dihydrate, K2[Re2Cl8]2H2O (1965)
    s.l. : American Chemical Society
    Inorganic chemistry 4 (1965), S. 330-333 
    Details
    ISSN: 1520-510X
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/ic50025a015
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  • 6
    Electronic Resource
    Electronic Resource
    Structure of tetraphenylarsonium bis(N-cyanodithiocarbimato)nickelate(II) (1968)
    s.l. : American Chemical Society
    Inorganic chemistry 7 (1968), S. 2140-2144 
    Details
    ISSN: 1520-510X
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/ic50068a038
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  • 7
    Electronic Resource
    Electronic Resource
    Lowest triplet state of substituted benzenes. II. Phosphorescence microwave double resonance studies on the 3.pi..pi.* state of p-dichlorobenzene (1972)
    s.l. : American Chemical Society
    Journal of the American Chemical Society 94 (1972), S. 3692-3699 
    Details
    ISSN: 1520-5126
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/ja00766a004
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  • 8
    Electronic Resource
    Electronic Resource
    Generalized Brownian dynamics. I. Numerical integration of the generalized Langevin equation through autoregressive modeling of the memory function (1990)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 92 (1990), S. 1304-1311 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A method is presented for numerical integration of the generalized Langevin equation (GLE) based on modeling of the "random force'' as a discrete autoregressive process. This modeling procedure, drawn from digital signal processing and spectral estimation methods which have been used extensively in electrical engineering applications, provides for efficient evaluation of the friction integral in the GLE as well as for generation of a random force process with the desired spectrum. The method is shown, through comparison with molecular dynamics results, to be effective in simulating the force autocorrelation function of an iodine atom dissolved in Lennard-Jones (LJ) xenon. In a companion paper this method is applied in a simulation of the vibrational relaxation of I2 in LJ xenon at two very different densities and found to perform well.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.458140
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  • 9
    Electronic Resource
    Electronic Resource
    Level crossing in liquids involving intermolecular electronic to vibrational energy transfer (1990)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 93 (1990), S. 1481-1483 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The A'/A state lifetime of I2 in various deuterated hydrocarbon solvents has been determined from picosecond transient absorption spectra. The lifetime observed in the deuterated solvents is 2.0 times as long as that which has been measured in the corresponding undeuterated solvent. A mechanism involving intermolecular electronic to vibration energy transfer from the electronically excited I2 to the solvent is proposed to explain this effect and the overall trend of shorter lifetime with increasing density of CH stretching modes.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.459162
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  • 10
    Electronic Resource
    Electronic Resource
    Generalized Brownian dynamics. II. Vibrational relaxation of diatomic molecules in solution (1990)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 92 (1990), S. 1312-1319 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A simple classical stochastic model for diatomic vibrational relaxation, based on the generalized Langevin equation, is presented. The memory function in the generalized Langevin equation is determined directly from equilibrium force autocorrelation functions for the individual atoms of the diatomic dissolved in the solvent of interest. A simple autoregressive (AR) procedure, developed in a preceding paper [D. E. Smith and C. B. Harris, J. Chem. Phys. 92, xxx (1990)], is used for modeling the memory functions to arbitrary order. This model is tested on the system of iodine in Lennard–Jones xenon using fourth order AR approximations for the memory functions, and is found to be very effective in reproducing data from molecular dynamics simulations at two very different densities. Results are discussed in terms of the simplifying assumption that the solvent interaction with the diatomic can be characterized by equilibrium dynamics of single atoms in solution.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.458141
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