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Derek S Middlemiss

Showing results (1-10 of 23) with videos related to

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The Journal of Chemical Physics|April 17, 2014
First principles calculation of a large variation in dielectric tensor through the spin crossover in the CsFe[Cr(CN)₆] Prussian blue analogueDerek S Middlemiss, Robert J Deeth
The Journal of Chemical Physics|August 21, 2007
Car-Parrinello and path integral molecular dynamics study of the hydrogen bond in the chloroacetic acid dimer systemPiotr Durlak, Carole A Morrison, Derek S Middlemiss, et al.
Journal of the American Chemical Society|September 16, 2011
Defects in doped LaGaO3 anionic conductors: linking NMR spectral features, local environments, and defect thermodynamicsFrédéric Blanc, Derek S Middlemiss, Zhehong Gan, et al.
The Journal of Physical Chemistry. A|September 2, 2008
A combined experimental and theoretical charge density study of the chemical bonding and magnetism in 3-amino-propanolato Cu(II) complexes containing weakly coordinated anionsLouis J Farrugia, Derek S Middlemiss, Reijo Sillanpää, et al.
Journal of the American Chemical Society|June 14, 2012
Probing cation and vacancy ordering in the dry and hydrated yttrium-substituted BaSnO3 perovskite by NMR spectroscopy and first principles calculations: implications for proton mobilityLucienne Buannic, Frédéric Blanc, Derek S Middlemiss, et al.
Journal of Magnetic Resonance (San Diego, Calif. : 1997)|March 26, 2010
Solid-state NMR calculations for metal oxides and gallates: shielding and quadrupolar parameters for perovskites and related phasesDerek S Middlemiss, Frédéric Blanc, Chris J Pickard, et al.
Acta Crystallographica. Section B, Structural Science|March 22, 2007
Structure and hydrogen bonding in 2,4-dihydroxybenzoic acid at 90, 100, 110 and 150 K; a theoretical and single-crystal X-ray diffraction studyAndrew Parkin, Martin Adam, Richard I Cooper, et al.
Journal of the American Chemical Society|June 20, 2012
Structural modulation in the high capacity battery cathode material LiFeBO3Yuri Janssen, Derek S Middlemiss, Shou-Hang Bo, et al.
Solid State Nuclear Magnetic Resonance|February 21, 2012
Thermal phase transformations in LaGaO(3) and LaAlO(3) perovskites: an experimental and computational solid-state NMR studyFrédéric Blanc, Derek S Middlemiss, Lucienne Buannic, et al.
Chemistry of Materials : a Publication of the American Chemical Society|September 1, 2015
Joint Experimental and Computational <sup>17</sup>O and <sup>1</sup>H Solid State NMR Study of Ba<sub>2</sub>In<sub>2</sub>O<sub>4</sub>(OH)<sub>2</sub> Structure and DynamicsRıza Dervişoğlu, Derek S Middlemiss, Frédéric Blanc, et al.
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Showing results (1-10 of 23) with videos related to

Sort By:
Pageof 3
The Journal of Chemical Physics|April 17, 2014
First principles calculation of a large variation in dielectric tensor through the spin crossover in the CsFe[Cr(CN)₆] Prussian blue analogueDerek S Middlemiss, Robert J Deeth
The Journal of Chemical Physics|August 21, 2007
Car-Parrinello and path integral molecular dynamics study of the hydrogen bond in the chloroacetic acid dimer systemPiotr Durlak, Carole A Morrison, Derek S Middlemiss, et al.
Journal of the American Chemical Society|September 16, 2011
Defects in doped LaGaO3 anionic conductors: linking NMR spectral features, local environments, and defect thermodynamicsFrédéric Blanc, Derek S Middlemiss, Zhehong Gan, et al.
The Journal of Physical Chemistry. A|September 2, 2008
A combined experimental and theoretical charge density study of the chemical bonding and magnetism in 3-amino-propanolato Cu(II) complexes containing weakly coordinated anionsLouis J Farrugia, Derek S Middlemiss, Reijo Sillanpää, et al.
Journal of the American Chemical Society|June 14, 2012
Probing cation and vacancy ordering in the dry and hydrated yttrium-substituted BaSnO3 perovskite by NMR spectroscopy and first principles calculations: implications for proton mobilityLucienne Buannic, Frédéric Blanc, Derek S Middlemiss, et al.
Journal of Magnetic Resonance (San Diego, Calif. : 1997)|March 26, 2010
Solid-state NMR calculations for metal oxides and gallates: shielding and quadrupolar parameters for perovskites and related phasesDerek S Middlemiss, Frédéric Blanc, Chris J Pickard, et al.
Acta Crystallographica. Section B, Structural Science|March 22, 2007
Structure and hydrogen bonding in 2,4-dihydroxybenzoic acid at 90, 100, 110 and 150 K; a theoretical and single-crystal X-ray diffraction studyAndrew Parkin, Martin Adam, Richard I Cooper, et al.
Journal of the American Chemical Society|June 20, 2012
Structural modulation in the high capacity battery cathode material LiFeBO3Yuri Janssen, Derek S Middlemiss, Shou-Hang Bo, et al.
Solid State Nuclear Magnetic Resonance|February 21, 2012
Thermal phase transformations in LaGaO(3) and LaAlO(3) perovskites: an experimental and computational solid-state NMR studyFrédéric Blanc, Derek S Middlemiss, Lucienne Buannic, et al.
Chemistry of Materials : a Publication of the American Chemical Society|September 1, 2015
Joint Experimental and Computational <sup>17</sup>O and <sup>1</sup>H Solid State NMR Study of Ba<sub>2</sub>In<sub>2</sub>O<sub>4</sub>(OH)<sub>2</sub> Structure and DynamicsRıza Dervişoğlu, Derek S Middlemiss, Frédéric Blanc, et al.
Pageof 3