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Showing 10 out of a total of 13 results for community: Natural and Agricultural Sciences.
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Ab-initio study of MgSe self-interstitial (Mgi and Sei)
Igumbor, Emmanuel
;
Obodo, Kingsley Onyebuchi
;
Meyer, Walter Ernst
(
Trans Tech Publications
,
2016
)
A first principle hybrid functional calculation of TmGe 3+-VGe defect complexes in germanium
Igumbor, Emmanuel
;
Mapasha, Refilwe Edwin
;
Andrew, Richard Charles
;
Meyer, Walter Ernst
(
Elsevier
,
2016-09
)
Orientation of trimethylolethane cyclic phosphite in rhodium complexes : structure of [Rh(CH3COCHCOCH3)(CO)(P(OCH2)3CCH3)]
Van Rooyen, Petrus H.
;
Conradie, Jeanet
(
Elsevier
,
2016-06
)
Defect charge states in Si doped hexagonal boron-nitride monolayer
Mapasha, Refilwe Edwin
;
Molepo, Mahlanga P.
;
Andrew, Richard Charles
;
Chetty, Nithaya
(
IOP Publishing
,
2016-02
)
Ab-initio study of germanium di-interstitial using a hybrid functional (HSE)
Igumbor, Emmanuel
;
Ouma, C.N.M.
;
Webb, Geoffrey
;
Meyer, Walter Ernst
(
Elsevier
,
2016-01
)
X-ray and electronic structure of tris(benzoylacetonato-κ2O,O')iron(III)
Conradie, Marrigje M.
;
Van Rooyen, Petrus H.
;
Conradie, Jeanet
(
Elsevier
,
2016-11
)
Jahn-Teller distortion in tris[4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato]manganese(III) isomers : an x-ray and computational study
Gostynski, Roxanne
;
Van Rooyen, Petrus H.
;
Conradie, Jeanet
(
Elsevier
,
2016-09
)
Synthesis and structure of novel triphenylarsine-substituted tungsten(0) Fischer carbene complexes
Jansen van Rensburg, Armand
;
Landman, Marile
;
Van Rooyen, Petrus H.
;
Conradie, Marrigje M.
;
Conradie, Jeanet
(
Elsevier
,
2016-02
)
Conformational preferences of heteronuclear Fischer carbene complexes of cymantrene and cyclopentadienyl rhenium tricarbonyl
Fraser, Roan
;
Van Rooyen, Petrus H.
;
Landman, Marile
(
Taylor and Francis
,
2016-09
)
Geometrical isomers of tris(beta-diketonato)metal(III) complexes for M = Cr or Co: Synthesis, X-ray structures and DFT study
Liu, Renyuan
;
Van Rooyen, Petrus H.
;
Conradie, Jeanet
(
Elsevier
,
2016-06
)
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Author
Van Rooyen, Petrus H. (6)
Conradie, Jeanet (5)
Mapasha, Refilwe Edwin (4)
Meyer, Walter Ernst (4)
Igumbor, Emmanuel (3)
Andrew, Richard Charles (2)
Chetty, Nithaya (2)
Conradie, Marrigje M. (2)
Landman, Marile (2)
Molepo, Mahlanga P. (2)
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Subject
Density functional theory (DFT) (13)
Charge state (4)
b-Diketone (3)
Defects (3)
Structure (3)
Fischer carbene (2)
Interstitial (2)
Carbon-substitutional–carbon-interstitial (CsCi) (1)
Charge (1)
Chromium(III) (1)
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Date Issued
2016 (13)
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