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Showing 10 out of a total of 11 results for community: Natural and Agricultural Sciences.
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Structural and electronic features of triphenylstibine-functionalized Fischer carbene complexes of molybdenum(0)
Jansen van Rensburg, Armand
;
Landman, Marile
;
Van Rooyen, Petrus H.
;
Conradie, Marrigje M.
;
Erasmus, Elizabeth
;
Conradie, Jeanet
(
Elsevier
,
2017-09
)
Rhodium-rhodium interactions in [Rh(β-diketonato)(CO)2] complexes
Conradie, Marrigje Marianne
;
Van Rooyen, Petrus H.
;
Pretorius, Carla
;
Roodt, Andreas
;
Conradie Jeanet
(
Elsevier
,
2017-09
)
Rare earth interstitials in Ge : a hybrid density functional theory study
Igumbor, Emmanuel
;
Andrew, Richard Charles
;
Meyer, Walter Ernst
(
Springer
,
2017-02
)
Molybdenum(0) Fischer ethoxycarbene complexes : synthesis, x-ray crystal structures and DFT study
Jansen van Rensburg, Armand
;
Landman, Marile
;
Van Rooyen, Petrus H.
;
Conradie, Marrigje M.
;
Conradie, Jeanet
(
Elsevier
,
2017-01
)
Ab initio studies of isolated boron substitutional defects in graphane
Mapasha, Refilwe Edwin
;
Chetty, Nithaya
(
IOP Publishing Limited
,
2017
)
Rare earth interstitial-complexes in Ge : hybrid density functional studies
Igumbor, Emmanuel
;
Omotoso, Ezekiel
;
Danga, Helga Tariro
;
Tunhuma, Shandirai Malven
;
Meyer, Walter Ernst
(
Elsevier
,
2017-10
)
Packing polymorphism of dicarbonyl-[2-(phenylamino)pent-3-en-4-onato]rhodium(I)
Ferreira, Hendrik
;
Conradie, Marrigje Marianne
;
Van Rooyen, Petrus H.
;
Conradie, Jeanet
(
Elsevier
,
2017-11
)
Rare earth substitutional impurities in germanium : a hybrid density functional theory study
Igumbor, Emmanuel
;
Omotoso, Ezekiel
;
Tunhuma, Shandirai Malven
;
Danga, Helga Tariro
;
Meyer, Walter Ernst
(
Elsevier
,
2017-10
)
Electrochemical study of chromium(0) Fischer carbene complexes : trends in redox potential
Gostynski, Roxanne
;
Fraser, Roan
;
Landman, Marile
;
Erasmus, Elizabeth
;
Conradie, Jeanet
(
Elsevier
,
2017-05
)
First-principles studies of chromium line-ordered alloys in a molybdenum disulfide monolayer
Andriambelaza, Noeliarinala Felana
;
Mapasha, Refilwe Edwin
;
Chetty, Nithaya
(
IOP Publishing
,
2017-08
)
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Author
Conradie, Jeanet (4)
Van Rooyen, Petrus H. (4)
Chetty, Nithaya (3)
Igumbor, Emmanuel (3)
Landman, Marile (3)
Mapasha, Refilwe Edwin (3)
Meyer, Walter Ernst (3)
Conradie, Marrigje M. (2)
Conradie, Marrigje Marianne (2)
Danga, Helga Tariro (2)
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Subject
Density functional theory (DFT) (11)
Formation energy (4)
Charge state (3)
Electronic properties (3)
Fischer carbene (3)
Ab initio (2)
Chromium (2)
Defects (2)
Dicarbonyl (2)
Energy gap (2)
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Date Issued
2017 (11)
Has File(s)
true (11)