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National Repository of Grey Literature 4 records found  Search took 0.01 seconds. 
Jedenáctivrcholová difosfakarboranová chemie
 Bakardjiev, Mario ; Holub, Josef ; Carr, MJ. ; Hnyk, Drahomír ; Kennedy, JD. ; Štíbr, Bohumil
The molecular geometries of the non metallic compounds were optimized ab initio at a correlated level of theory (RMP2(fc))/6-31G* and the structure of 4 was determined by an X-ray diffraction analysis.
Detailed record
Chemie "helmet" aniontu : hypho--[C2B6H13](-)
 Londesborough, Michael Geoffrey Stephen ; Janoušek, Zbyněk ; Hnyk, Drahomír ; Štíbr, Bohumil
The geometries and electron-counts of the vast majority of known carborane species fall under the structural catagories of closo, nido and arachno carboranes.
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Postupná degradace dekaboranu na malé monokarbaboranové sloučeniny
 Holub, Josef ; Bakardjiev, Mario ; Hnyk, Drahomír ; Štíbr, Bohumil
How much difficult is the life of a boron-cluster chemist wanting to prepare smaller-cage monocarboranes from the commercially available decaborane is demonstrated by the Scheme.
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Stereochemie karboranů vznikajících sedmistupňovou degradací dekaboranu
 Hnyk, Drahomír ; Štíbr, Bohumil
The final level of geometry optimizations of these clusters of various molecular shapes included the effect of electron correlation, which considerably improved the fit between the calculated (GIAO-SCF or GIAO-MP2) and experimental 11B chemical shifts.
Detailed record

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