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Title: Direct assignment of molecular vibrations via normal mode analysis of the neutron dynamic pair distribution function technique

Journal Article · · The Journal of Chemical Physics
DOI:https://doi.org/10.1063/1.4930607· OSTI ID:1229673
ORCiD logo [1];  [2]; ORCiD logo [3];  [3];  [3];  [1];  [2];  [1]
  1. Department of Chemistry, The Johns Hopkins University, Baltimore, Maryland 21218, USA, Institute for Quantum Matter and Department of Physics and Astronomy, The Johns Hopkins University, Baltimore, Maryland 21218, USA, Department of Materials Science and Engineering, Johns Hopkins University, Baltimore, Maryland 21218, USA
  2. Department of Applied Physics, Cornell University, Ithaca, New York 14853, USA
  3. Institute for Quantum Matter and Department of Physics and Astronomy, The Johns Hopkins University, Baltimore, Maryland 21218, USA

Sponsoring Organization:
USDOE
Grant/Contract Number:
FG02-08ER46544
OSTI ID:
1229673
Journal Information:
The Journal of Chemical Physics, Journal Name: The Journal of Chemical Physics Vol. 143 Journal Issue: 12; ISSN 0021-9606
Publisher:
American Institute of PhysicsCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 5 works
Citation information provided by
Web of Science

References (31)

Local magnetism and spin correlations in the geometrically frustrated cluster magnet LiZn 2 Mo 3 O 8 journal February 2014
Direct assignment of molecular vibrations via normal mode analysis of the neutron dynamic pair distribution function technique journal September 2015
Generalized Gradient Approximation Made Simple journal October 1996
Local Lattice Dynamics and the Origin of the Relaxor Ferroelectric Behavior journal April 2008
Dynamic Distortions in the YTiO 3 Ferromagnet journal August 2014
CHEMISTRY: Multidimensional Snapshots of Chemical Dynamics journal September 2004
Dynamics of Local Bond Correlations in FeSe x Te1−x by Inelastic Neutron Scattering journal April 2014
A dynamic correlation function for amorphous solids journal November 1992
Dynamic pair-density function method for neutron and X-ray inelastic scattering journal May 2012
Vibrational spectroscopy in the electron microscope journal October 2014
The frontiers of time-resolved macromolecular crystallography: movies and chirped X-ray pulses journal October 2002
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal October 1996
A dynamic correlation function from inelastic neutron scattering data
  • Hannon, Alex C.; Arai, Masatoshi; Delaplane, Robert G.
  • Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 354, Issue 1 https://doi.org/10.1016/0168-9002(94)00927-9
journal January 1995
Emergent Honeycomb Lattice in LiZn 2 Mo 3 O 8 journal November 2013
VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data journal October 2011
PDFfit2 and PDFgui: computer programs for studying nanostructure in crystals journal July 2007
Dynamic correlation function studies of the medium-range order in materials journal December 1995
Local atomic structure of superconducting FeSe 1 x Te x journal April 2010
Design and operation of the wide angular-range chopper spectrometer ARCS at the Spallation Neutron Source journal January 2012
Nonlinear lattice dynamics as a basis for enhanced superconductivity in YBa2Cu3O6.5 journal December 2014
Inelastic neutron scattering from amorphous solids. II. Interpretation of measurements journal September 1975
Local structural instability of high-T c oxide superconductors studied by inelastic neutron scattering journal April 1994
Possible valence-bond condensation in the frustrated cluster magnet LiZn2Mo3O8 journal May 2012
Ab initiomolecular dynamics for liquid metals journal January 1993
Molecular Spectra and Molecular Structure book January 1979
High resolution S(Q, E) measurement on g-SiO2< journal June 1992
Molecular Quantum Magnetism in LiZn 2 Mo 3 O 8 journal January 2014
Dynamic radial distribution function from inelastic neutron scattering journal May 1998
Vibrational studies of molybdates, tungstates and related c compounds—III. Ordered cubic perovskites A2BIIBVIO6 journal September 1974
Electronic tunability of the frustrated triangular-lattice cluster magnet LiZn 2−x Mo 3 O 8 journal January 2015
Anisotropic Local Correlations and Dynamics in a Relaxor Ferroelectric journal April 2013