The Performance of Hybrid Density Functionals in Solid State Chemistry

2012 ◽  
pp. 171-232 ◽  
Author(s):  
Furio Corà ◽  
Maria Alfredsson ◽  
Giuseppe Mallia ◽  
Derek S. Middlemiss ◽  
William C. Mackrodt ◽  
...  
Keyword(s):  
Solid State ◽  
Solid State Chemistry ◽  
Density Functionals

The Performance of Hybrid Density Functionals in Solid State Chemistry

ChemInform ◽  
2005 ◽  
Vol 36 (26) ◽  
Author(s):  
Furio Cora ◽  
Maria Alfredsson ◽  
Giuseppe Mallia ◽  
Derek S. Middlemiss ◽  
William C. Mackrodt ◽  
...  
Keyword(s):  
Solid State ◽  
Solid State Chemistry ◽  
Density Functionals

scholarly journals Screened hybrid density functionals for solid-state chemistry and physics

2009 ◽  
Vol 11 (3) ◽  
pp. 443-454 ◽  
Author(s):  
Benjamin G. Janesko ◽  
Thomas M. Henderson ◽  
Gustavo E. Scuseria
Keyword(s):  
Solid State ◽  
Solid State Chemistry ◽  
Density Functionals

Solid State Chemistry

1968 ◽  
Vol 58 (5_6) ◽  
pp. 331-332
Author(s):  
K. Hauffe
Keyword(s):  
Solid State ◽  
Solid State Chemistry

scholarly journals A Mixed-metal Mixed-halide Complex Prepared from Zerovalent Copper and Lead Salts: Solution and Solid-state Chemistry

1999 ◽  
Vol 23 (11) ◽  
pp. 670-671
Author(s):  
Larisa A. Kovbasyuk ◽  
Olga Yu. Vassilyeva ◽  
Vladimir N. Kokozay ◽  
Wolfgang Linert ◽  
Paul R. Raithby
Keyword(s):  
Solid State ◽  
Direct Interaction ◽  
Solid State Chemistry ◽  
X Ray ◽  
Mixed Metal ◽  
X Ray Crystallography ◽  
Halide Complex ◽  
Layer Arrangement ◽  
Lead Salts

The mixed-metal mixed-halide complex [CuPbBrlL2]2 has been prepared by the direct interaction of zerovalent copper with lead halides and 2-dimethylaminoethanol (HL) in dmso and has been characterized by X-ray crystallography; the structure shows a layer arrangement of the tetranuclear metal units through the μ3-halogen bridging.

The solution and solid state chemistry of dichlorobis(quinoline)cobalt(II)

1989 ◽  
Vol 14 (2) ◽  
pp. 100-104 ◽  
Author(s):  
Linda A. Jacobs ◽  
Cornelius P. J. van Vuuren
Keyword(s):  
Solid State ◽  
Solid State Chemistry

Synthesis and Crystal Chemistry of New Transition Metal Tellurium Oxides in Compounds Containing Lead and Barium

2000 ◽  
Vol 658 ◽  
Author(s):  
Boris Wedel ◽  
Katsumasa Sugiyama ◽  
Kimio Itagaki ◽  
Hanskarl Müller-Buschbaum
Keyword(s):  
Solid State ◽  
Transition Metal ◽  
Solid State Reactions ◽  
Solid State Chemistry ◽  
Wide Field ◽  
Synthesis Conditions ◽  
Lead Compounds ◽  
Alkaline Transition ◽  
New Compounds ◽  
Channel Structures

ABSTRACTDuring the past decades the solid state chemistry of tellurium oxides has been enriched by a series of quaternary metallates. Interest attaches not only to the chemical and physical properties of these compounds, but also to their structure, which have been studied by modern methods. The partial similarity of earth alkaline metals and lead in solid state chemistry and their relationships in oxides opens a wide field of investigations. Eight new compounds in the systems Ba-M-Te-O (M= Nb, Ta) and Pb-M-Te-O (M = Mn, Ni, Cu, Zn) were prepared and structurally characterized: Ba2Nb2TeO10, Ba2M6Te2O21 (M = Nb, Ta) and the lead compounds PbMnTeO3, Pb3Ni4.5Te2.5O15, PbCu3TeO7, PbZn4SiTeO10 and the mixed compound PbMn2Ni6Te3O18. The structures of all compounds are based on frameworks of edge and corner sharing oxygen octahedra of the transition metal and the tellurium. Various different channel structures were observed and distinguished. The compounds were prepared by heating from mixtures of the oxides, and the single crystals were grown by flux method or solid state reactions on air. The synthesis conditions were modified to obtained microcrystalline material for purification and structural characterizations, which were carried out using a variety of tools including powder diffraction data and refinements of X-ray data. Relationships between lead transition metal tellurium oxides and the earth alkaline transition metals tellurium oxides are compared.

Solid state chemistry of energy-related materials

2016 ◽  
Vol 242 ◽  
pp. 1-2 ◽  
Author(s):  
Susan E. Latturner ◽  
Michael Shatruk
Keyword(s):  
Solid State ◽  
Solid State Chemistry
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