J
Juergen Eckert
Researcher at University of South Florida
Publications - 178
Citations - 13510
Juergen Eckert is an academic researcher from University of South Florida. The author has contributed to research in topics: Inelastic neutron scattering & Neutron scattering. The author has an hindex of 43, co-authored 178 publications receiving 12771 citations. Previous affiliations of Juergen Eckert include Yale University & Los Alamos National Laboratory.
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Probing the dynamics of complexed local anesthetics via neutron scattering spectroscopy and DFT calculations.
Murillo L. Martins,Juergen Eckert,Juergen Eckert,Henrik Jacobsen,Henrik Jacobsen,Éverton Carvalho dos Santos,Éverton Carvalho dos Santos,Rosanna Ignazzi,Daniele Ribeiro de Araujo,Marie-Claire Bellissent-Funel,Francesca Natali,Michael Marek Koza,Aleksander Matic,Eneida de Paula,Heloisa N. Bordallo,Heloisa N. Bordallo +15 more
TL;DR: The use of vibrational analysis by density functional theory (DFT) made possible the identification of molecular modes that are most affected in both molecules by insertion into HP-β-CD, namely those of the piperidine rings and methyl groups.
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Fluxionality of hydrogen ligands in Fe(H)2(H2)(PEtPh2)3.
TL;DR: Detailed density functional theory (DFT) structural calculations involving the three functionals (B3LYP, TPSS, and wB97XD) provide a good account of the experimental structure and rotational barriers when only the hydrogen ligands are relaxed.
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Lattice dynamics of hcp He 4 at high pressure
TL;DR: In this paper, the phonon dispersion relations in two high-density crystals of hcp with molar volumes of 11.61 and 9.41 were measured using the neutron-inelastic-scattering technique.
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Mode of Adsorption of (CH3)2Au(acac) onto Partially Dehydroxylated Silica
TL;DR: In this article, the most energetically favorable interaction to be hydrogen bonding between two surface hydroxyls and the oxygen donor atoms of the chelated acetylacetonate ligand was confirmed by analysis of the IR and the Au LIII edge extended X-ray absorption fine structure.
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Molecular dynamics of a dilute solution of hydrogen in palladium.
Lawrence R. Pratt,Juergen Eckert +1 more
TL;DR: The embedded-atom model adopted here does a good job of describing the H-Pdatomic forces probed by incoherent inelastic neutron scattering, and the rmsdisplacement of the H atom from its mean position in the center of the Pdoctahedron compares favorably with the available neutron-diffraction results.