Theoretical investigations on structural, elastic and electronic properties of thallium halides

2011 ◽  
Vol 406 (9) ◽  
pp. 1717-1721 ◽  
Author(s):  
Rishi Pal Singh ◽  
Rajendra Kumar Singh ◽  
Mathrubutham Rajagopalan
Keyword(s):  
Electronic Properties ◽  
Theoretical Investigations ◽  
Thallium Halides

Out of cross-conjugation: the unexpected structure of tetrazinones

RSC Advances ◽  
2014 ◽  
Vol 4 (88) ◽  
pp. 47762-47768
Author(s):  
A. C. Bényei ◽  
A. Stirling ◽  
B. Bostai ◽  
K. Lőrincz ◽  
A. Kotschy
Keyword(s):  
Electronic Properties ◽  
Theoretical Investigations ◽  
Structural And Electronic Properties

Combined experimental and theoretical investigations helped to elucidate the mechanisms responsible for the unique structural and electronic properties of NHC-substituted tetrazinone compounds.

scholarly journals Theoretical investigations of novel zinc oxide polytypes and in-depth study of their electronic properties

RSC Advances ◽  
2015 ◽  
Vol 5 (33) ◽  
pp. 25929-25935 ◽  
Author(s):  
D. Zagorac ◽  
J. C. Schön ◽  
J. Zagorac ◽  
M. Jansen
Keyword(s):  
Zinc Oxide ◽  
Electronic Properties ◽  
Theoretical Investigations ◽  
Depth Study

Is it still possible to observe or synthesize new modifications of ZnO, improve the properties of this material, find out the connection between zincite, ZnS and ZnO, and finally explain the controversial mineral matraite? The answer to these questions is polytypism.

Chemical Trends in Electronic Properties of Gold-3D Transition Metal Impurity Pairs in Silicon

1997 ◽  
Vol 469 ◽  
Author(s):  
J. F. Justo ◽  
L. V. C. Assali
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Electronic Properties ◽  
Transition Metal Complexes ◽  
Metal Impurity ◽  
Trigonal Symmetry ◽  
Transition Metal Impurity ◽  
Theoretical Investigations ◽  
Stable Pairs ◽  
Chemical Trends

ABSTRACTWe report theoretical investigations of the chemical trends in the electronic properties of substitutional gold-interstitial transition-metal complexes in silicon. The results show that the stable pairs in trigonal symmetry are formed by a covalent mechanism which includes, besides Au and TM impurities, also the Si neighbors, rather than being derived from interactions between two electrostatically bound point charges.

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