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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 analogue
Derek 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 system
Piotr 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 thermodynamics
Frédéric 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 anions
Louis 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 mobility
Lucienne 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 phases
Derek 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 study
Andrew 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 LiFeBO3
Yuri 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 study
Frédéric 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 Dynamics
Rıza Dervişoğlu, Derek S Middlemiss, Frédéric Blanc, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 23) with videos related to
Sort By:
Page
of 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 analogue
Derek 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 system
Piotr 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 thermodynamics
Frédéric 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 anions
Louis 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 mobility
Lucienne 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 phases
Derek 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 study
Andrew 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 LiFeBO3
Yuri 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 study
Frédéric 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 Dynamics
Rıza Dervişoğlu, Derek S Middlemiss, Frédéric Blanc, et al.
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of 3